data_2kx5_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 2kx5 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 2.7 ptp85 . . . . . 0 CA--C 1.53 0.197 0 CA-C-O 120.556 0.217 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.423 ' HB ' ' SG ' ' B' ' 13' ' ' CYS . 0.0 OUTLIER -103.96 137.43 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.403 -179.738 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . 0.563 ' CG ' HH11 ' B' ' 3' ' ' ARG . 0.0 OUTLIER -96.06 117.51 30.83 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.357 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' CYS . . . . . 0.544 ' HA ' ' HA ' ' B' ' 13' ' ' CYS . 1.3 m -96.28 152.98 18.07 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -177.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.449 HH21 HD11 ' B' ' 12' ' ' ILE . 6.6 ttp180 -144.82 141.42 29.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 113.535 -1.666 . . . . 0.0 109.852 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -77.14 105.58 8.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.898 0.38 . . . . 0.0 110.784 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' ARG . . . . . 0.542 ' O ' ' O ' ' B' ' 10' ' ' ARG . 7.7 ttm180 -137.88 133.39 33.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.443 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . 0.655 ' C ' ' H ' ' B' ' 10' ' ' ARG . 35.4 mmtt 56.96 51.73 10.22 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.14 -20.37 0.08 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.655 ' H ' ' C ' ' B' ' 8' ' ' LYS . 3.4 tpp85 -108.96 159.83 16.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.793 0.33 . . . . 0.0 110.495 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.421 ' N ' ' HG3' ' B' ' 10' ' ' ARG . 10.5 ptm180 -95.0 114.11 25.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.952 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.449 HD11 HH21 ' B' ' 5' ' ' ARG . 2.2 pp -89.35 136.1 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . 0.544 ' HA ' ' HA ' ' B' ' 4' ' ' CYS . 0.1 OUTLIER -112.9 154.11 26.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.176 0.512 . . . . 0.0 111.64 -177.006 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 7.6 mt -125.34 118.99 54.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.355 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.476 ' O ' ' CG ' ' B' ' 15' ' ' ARG . 12.0 ptm180 -51.32 121.51 6.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.006 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 5.5 mm . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.59 179.444 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' ARG . . . . . 0.401 HH11 ' HB3' ' B' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.146 0 CA-C-O 120.598 0.237 . . . . 0.0 110.586 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.585 ' CG1' HH21 ' B' ' 15' ' ' ARG . 0.2 OUTLIER -103.36 134.05 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-O 120.821 0.343 . . . . 0.0 111.37 -179.874 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . 0.579 ' O ' ' HA ' ' B' ' 13' ' ' CYS . 0.8 OUTLIER -97.69 122.2 40.49 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.838 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' CYS . . . . . 0.513 ' HA ' ' HA ' ' B' ' 13' ' ' CYS . 4.5 m -97.53 151.43 20.04 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -177.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -142.56 135.86 28.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.157 -1.383 . . . . 0.0 109.877 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 13.5 mp0 -70.73 115.44 9.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.956 0.408 . . . . 0.0 110.791 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' ARG . . . . . 0.648 ' O ' ' O ' ' B' ' 10' ' ' ARG . 10.9 ttm180 -144.3 153.89 42.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.444 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . 0.518 ' C ' ' H ' ' B' ' 10' ' ' ARG . 55.1 mmtt 32.96 45.32 0.06 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.975 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 72.39 -20.55 0.97 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.321 -0.711 . . . . 0.0 111.321 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.648 ' O ' ' O ' ' B' ' 7' ' ' ARG . 11.2 mmp_? -109.04 150.53 27.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 110.431 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.486 ' O ' ' CG ' ' B' ' 11' ' ' ARG . 8.5 ptm180 -86.42 112.55 21.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.966 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 2.2 pp -88.27 133.8 29.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . 0.579 ' HA ' ' O ' ' B' ' 3' ' ' ARG . 0.0 OUTLIER -113.31 152.89 29.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.143 0.497 . . . . 0.0 111.587 -177.336 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 tt -126.23 123.36 63.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.283 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.585 HH21 ' CG1' ' B' ' 2' ' ' VAL . 0.3 OUTLIER -61.02 133.53 56.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.967 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.599 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' ARG . . . . . 0.566 ' O ' ' O ' ' B' ' 16' ' ' ILE . 8.6 mtm180 . . . . . 0 CA--C 1.53 0.179 0 CA-C-O 120.603 0.24 . . . . 0.0 110.566 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.595 ' CG1' ' HE ' ' B' ' 15' ' ' ARG . 5.4 m -105.08 139.01 27.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.37 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . 0.59 ' O ' ' HA ' ' B' ' 13' ' ' CYS . 2.8 ttt-85 -96.74 119.36 35.09 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' CYS . . . . . 0.503 ' HA ' ' HA ' ' B' ' 13' ' ' CYS . 9.0 m -96.86 150.52 20.64 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.855 0.836 . . . . 0.0 113.14 -178.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 50.6 mtt180 -145.25 137.16 25.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.921 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -72.1 101.7 2.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.806 0.336 . . . . 0.0 110.796 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' ARG . . . . . 0.509 ' O ' ' O ' ' B' ' 10' ' ' ARG . 12.1 ttm180 -134.61 129.55 35.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.379 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . 0.663 ' C ' ' H ' ' B' ' 10' ' ' ARG . 0.1 OUTLIER 60.33 54.62 3.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 178.894 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.3 -20.47 0.08 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 178.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.663 ' H ' ' C ' ' B' ' 8' ' ' LYS . 2.2 tpp180 -113.48 158.88 20.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.852 0.358 . . . . 0.0 110.451 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.465 ' N ' ' HG3' ' B' ' 10' ' ' ARG . 7.1 ptm180 -92.64 112.61 24.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 2.2 pp -90.94 137.43 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . 0.59 ' HA ' ' O ' ' B' ' 3' ' ' ARG . 0.0 OUTLIER -114.53 151.68 32.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.069 0.462 . . . . 0.0 111.614 -177.917 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 3.5 tt -126.95 126.27 68.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.272 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.595 ' HE ' ' CG1' ' B' ' 2' ' ' VAL . 11.0 tpp85 -52.35 114.78 1.46 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.019 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.566 ' O ' ' O ' ' B' ' 1' ' ' ARG . 9.4 mm . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.582 178.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 2.2 mmm-85 . . . . . 0 CA--C 1.529 0.166 0 CA-C-O 120.571 0.224 . . . . 0.0 110.576 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.45 ' HB ' ' SG ' ' B' ' 13' ' ' CYS . 0.1 OUTLIER -102.77 136.8 33.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.362 -179.583 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . 0.756 ' NH2' HH21 ' B' ' 5' ' ' ARG . 3.3 ttm180 -96.19 115.45 27.45 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' CYS . . . . . 0.53 ' HA ' ' O ' ' B' ' 12' ' ' ILE . 0.8 OUTLIER -100.88 150.63 22.64 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 -177.676 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.756 HH21 ' NH2' ' B' ' 3' ' ' ARG . 10.6 mtt180 -140.56 136.06 32.46 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 113.893 -1.503 . . . . 0.0 109.859 178.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . 0.882 ' H ' ' NE2' ' B' ' 6' ' ' GLN . 0.0 OUTLIER -70.2 120.0 15.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.947 0.403 . . . . 0.0 110.791 179.388 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' ARG . . . . . 0.569 ' O ' ' O ' ' B' ' 10' ' ' ARG . 35.4 ttp180 -145.34 122.77 11.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.423 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . 0.601 ' C ' ' H ' ' B' ' 10' ' ' ARG . 14.0 mttp 50.58 55.7 9.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.966 178.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 66.65 -20.55 0.19 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.276 -0.73 . . . . 0.0 111.276 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.601 ' H ' ' C ' ' B' ' 8' ' ' LYS . 4.9 mmp_? -108.39 142.69 38.37 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.434 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -91.63 119.61 31.67 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.53 ' O ' ' HA ' ' B' ' 4' ' ' CYS . 10.4 pt -86.78 132.66 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 178.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . 0.45 ' SG ' ' HB ' ' B' ' 2' ' ' VAL . 0.5 OUTLIER -112.6 148.66 34.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.122 0.487 . . . . 0.0 111.586 -177.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . 0.429 HG23 HD11 ' B' ' 14' ' ' ILE . 44.2 mm -124.1 113.2 35.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.313 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.58 125.77 19.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.005 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 63.5 mt . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.553 179.796 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' ARG . . . . . 0.429 ' HG3' ' H ' ' B' ' 2' ' ' VAL . 1.9 tpt180 . . . . . 0 CA--C 1.529 0.137 0 CA-C-O 120.594 0.235 . . . . 0.0 110.665 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.429 ' H ' ' HG3' ' B' ' 1' ' ' ARG . 2.1 m -103.01 137.74 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 111.333 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . 0.593 ' C ' ' NE ' ' B' ' 3' ' ' ARG . 0.0 OUTLIER -96.0 116.08 28.4 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 179.232 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' CYS . . . . . 0.592 ' SG ' ' NH1' ' B' ' 11' ' ' ARG . 1.6 m -94.67 150.84 19.81 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -177.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.55 ' N ' HH21 ' B' ' 3' ' ' ARG . 8.1 ttp180 -143.15 130.7 21.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.453 -1.249 . . . . 0.0 109.894 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . 0.678 ' NE2' ' N ' ' B' ' 6' ' ' GLN . 0.0 OUTLIER -63.73 122.61 16.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.923 0.392 . . . . 0.0 110.807 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' ARG . . . . . 0.566 ' O ' ' O ' ' B' ' 10' ' ' ARG . 2.7 ttp180 -144.71 105.93 4.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.409 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . 0.667 ' C ' ' H ' ' B' ' 10' ' ' ARG . 9.9 mttp 58.61 68.12 0.86 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 178.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 62.38 -23.07 0.07 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 178.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.667 ' H ' ' C ' ' B' ' 8' ' ' LYS . 0.0 OUTLIER -115.19 139.58 49.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.803 0.335 . . . . 0.0 110.463 179.729 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.592 ' NH1' ' SG ' ' B' ' 4' ' ' CYS . 32.0 ptt85 -93.86 125.97 38.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.926 -178.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.412 ' O ' ' NH2' ' B' ' 3' ' ' ARG . 28.8 pt -91.0 139.45 17.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 178.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . 0.543 ' HA ' ' HA ' ' B' ' 4' ' ' CYS . 0.0 OUTLIER -112.88 152.3 29.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.071 0.462 . . . . 0.0 111.591 -177.436 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . 0.406 ' CD1' ' NH1' ' B' ' 3' ' ' ARG . 46.3 mt -124.31 115.75 45.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.224 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -53.3 127.42 24.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.035 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 67.3 mt . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.596 179.692 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' B' ' 16' ' ' ILE . 17.3 ttp85 . . . . . 0 CA--C 1.53 0.178 0 CA-C-O 120.516 0.198 . . . . 0.0 110.642 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.416 ' H ' ' HG2' ' B' ' 1' ' ' ARG . 0.9 OUTLIER -103.21 138.64 26.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 120.815 0.341 . . . . 0.0 111.355 -179.727 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . 0.469 ' O ' ' HA ' ' B' ' 13' ' ' CYS . 4.3 ttt-85 -94.88 112.26 23.99 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' CYS . . . . . 0.543 ' HA ' ' HA ' ' B' ' 13' ' ' CYS . 1.3 m -92.48 147.97 22.47 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 121.65 0.738 . . . . 0.0 112.909 -178.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.469 ' O ' ' HA ' ' B' ' 11' ' ' ARG . 1.9 ttm180 -142.38 133.54 26.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.879 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 20.8 tm0? -65.86 117.46 8.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.926 0.393 . . . . 0.0 110.748 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' ARG . . . . . 0.583 ' O ' ' O ' ' B' ' 10' ' ' ARG . 16.3 ttm180 -144.96 114.72 7.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.43 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . 0.669 ' C ' ' H ' ' B' ' 10' ' ' ARG . 14.2 mttm 59.87 62.49 1.67 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 178.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.08 -22.59 0.08 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 178.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.669 ' H ' ' C ' ' B' ' 8' ' ' LYS . 7.0 tpp85 -115.22 145.61 42.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.812 0.339 . . . . 0.0 110.412 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.469 ' HA ' ' O ' ' B' ' 5' ' ' ARG . 26.2 ptt180 -92.4 123.18 35.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.004 -178.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.412 HD12 ' HE ' ' B' ' 7' ' ' ARG . 5.4 pt -89.92 138.91 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 178.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . 0.543 ' HA ' ' HA ' ' B' ' 4' ' ' CYS . 0.1 OUTLIER -111.23 146.35 37.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.164 0.507 . . . . 0.0 111.549 -177.275 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . 0.467 HG23 HD13 ' B' ' 14' ' ' ILE . 46.8 mm -120.54 115.18 46.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.34 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.45 ' CB ' HH11 ' B' ' 15' ' ' ARG . 3.3 ptm85 -47.52 124.5 7.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.998 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' B' ' 1' ' ' ARG . 5.5 mm . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.561 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' ARG . . . . . 0.578 ' O ' ' O ' ' B' ' 16' ' ' ILE . 21.7 ttp85 . . . . . 0 CA--C 1.531 0.214 0 CA-C-O 120.54 0.209 . . . . 0.0 110.606 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.411 ' H ' ' HG2' ' B' ' 1' ' ' ARG . 15.7 m -125.51 136.09 61.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.387 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . 0.416 ' O ' ' HA ' ' B' ' 13' ' ' CYS . 4.9 ttt85 -98.4 132.28 43.99 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 177.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' CYS . . . . . 0.706 ' HA ' ' O ' ' B' ' 12' ' ' ILE . 23.2 m -105.34 146.07 29.89 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 122.104 0.954 . . . . 0.0 113.513 -177.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.431 ' O ' ' HA ' ' B' ' 11' ' ' ARG . 1.7 ttm180 -135.84 137.47 41.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.33 -1.304 . . . . 0.0 109.835 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -70.35 121.54 17.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.883 0.373 . . . . 0.0 110.78 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' ARG . . . . . 0.604 ' O ' ' N ' ' B' ' 10' ' ' ARG . 0.0 OUTLIER -143.48 138.04 28.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.466 179.846 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' B' ' 7' ' ' ARG . 20.5 mmtm 36.65 45.12 0.37 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 77.03 -21.24 2.72 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.604 ' N ' ' O ' ' B' ' 7' ' ' ARG . 0.0 OUTLIER -104.09 139.8 38.67 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.462 179.777 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.451 ' O ' ' CG ' ' B' ' 11' ' ' ARG . 7.3 ptm180 -88.6 118.59 28.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.958 -179.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.706 ' O ' ' HA ' ' B' ' 4' ' ' CYS . 16.2 pt -86.41 130.77 36.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . 0.453 ' HA ' ' HA ' ' B' ' 4' ' ' CYS . 74.7 m -111.86 100.71 9.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.139 0.495 . . . . 0.0 111.583 -178.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . 0.432 ' O ' HG13 ' B' ' 16' ' ' ILE . 36.2 mt -81.78 127.15 39.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.273 -178.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -69.38 115.42 8.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.933 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.578 ' O ' ' O ' ' B' ' 1' ' ' ARG . 1.6 pp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.586 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' B' ' 16' ' ' ILE . 5.6 ttm-85 . . . . . 0 CA--C 1.529 0.154 0 CA-C-O 120.577 0.227 . . . . 0.0 110.663 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -104.67 138.37 29.72 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 120.793 0.33 . . . . 0.0 111.385 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . 0.738 HH21 ' NH2' ' B' ' 5' ' ' ARG . 18.9 ttp-105 -95.53 114.9 26.71 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' CYS . . . . . 0.517 ' HA ' ' HA ' ' B' ' 13' ' ' CYS . 1.3 m -95.68 150.53 20.27 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 122.457 1.122 . . . . 0.0 113.819 -178.173 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.738 ' NH2' HH21 ' B' ' 3' ' ' ARG . 93.4 mtt180 -143.8 137.36 27.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.009 -1.45 . . . . 0.0 109.892 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -76.34 101.82 5.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.984 0.421 . . . . 0.0 110.742 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' ARG . . . . . 0.553 ' O ' ' O ' ' B' ' 10' ' ' ARG . 6.7 ttp180 -137.57 138.42 39.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.441 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . 0.628 ' C ' ' H ' ' B' ' 10' ' ' ARG . 0.1 OUTLIER 58.36 47.8 13.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.608 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.83 -15.22 0.12 Allowed Glycine 0 CA--C 1.527 0.8 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.628 ' H ' ' C ' ' B' ' 8' ' ' LYS . 0.1 OUTLIER -115.67 160.72 19.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.859 0.361 . . . . 0.0 110.452 179.804 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.477 ' N ' ' HG3' ' B' ' 10' ' ' ARG . 4.5 ptm180 -93.63 112.29 24.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 28.5 pt -89.02 135.04 26.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.798 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . 0.517 ' HA ' ' HA ' ' B' ' 4' ' ' CYS . 0.0 OUTLIER -113.13 149.71 33.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.093 0.473 . . . . 0.0 111.646 -177.927 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 5.2 mp -126.76 117.85 49.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.322 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.55 ' N ' ' CD ' ' B' ' 15' ' ' ARG . 0.0 OUTLIER -45.84 133.18 8.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.98 -179.791 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.422 ' N ' ' O ' ' B' ' 1' ' ' ARG . 15.0 mm . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.506 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' ARG . . . . . 0.563 ' O ' ' O ' ' B' ' 16' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.153 0 CA-C-O 120.572 0.225 . . . . 0.0 110.701 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -109.1 135.27 48.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.402 -179.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . 0.627 ' O ' ' HA ' ' B' ' 13' ' ' CYS . 13.5 ttt-85 -98.62 131.51 44.75 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.204 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' CYS . . . . . 0.475 ' HA ' ' HA ' ' B' ' 13' ' ' CYS . 1.7 m -102.74 152.15 21.57 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 -178.079 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.488 HH21 ' CD1' ' B' ' 12' ' ' ILE . 12.4 ttp180 -140.99 129.35 22.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.619 -1.173 . . . . 0.0 109.907 179.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 41.9 tp60 -65.52 115.92 6.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.844 0.354 . . . . 0.0 110.721 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' ARG . . . . . 0.584 ' O ' ' O ' ' B' ' 10' ' ' ARG . 9.4 ttm180 -144.34 115.1 7.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.444 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . 0.688 ' C ' ' H ' ' B' ' 10' ' ' ARG . 7.4 mttp 60.31 64.13 1.27 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 178.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 62.52 -22.88 0.07 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.321 -0.712 . . . . 0.0 111.321 177.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.688 ' H ' ' C ' ' B' ' 8' ' ' LYS . 4.2 mmt-85 -116.5 145.67 43.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.809 0.338 . . . . 0.0 110.439 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.482 ' HA ' ' O ' ' B' ' 5' ' ' ARG . 29.5 ptt180 -94.02 123.51 37.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.979 -179.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.537 ' CD1' ' NH2' ' B' ' 7' ' ' ARG . 14.9 pt -89.84 139.21 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . 0.627 ' HA ' ' O ' ' B' ' 3' ' ' ARG . 0.1 OUTLIER -114.21 149.3 36.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.121 0.486 . . . . 0.0 111.54 -177.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . 0.4 ' O ' HG12 ' B' ' 16' ' ' ILE . 0.9 OUTLIER -128.37 131.2 69.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.255 178.744 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.19 116.42 9.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.007 -178.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.563 ' O ' ' O ' ' B' ' 1' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.616 177.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' ARG . . . . . 0.472 ' CG ' HH11 ' B' ' 1' ' ' ARG . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.168 0 CA-C-O 120.652 0.263 . . . . 0.0 110.557 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.453 ' H ' ' HG2' ' B' ' 1' ' ' ARG . 1.3 m -101.84 138.22 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 120.859 0.361 . . . . 0.0 111.372 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . 0.528 ' O ' ' HA ' ' B' ' 13' ' ' CYS . 8.7 ttt-85 -94.26 113.86 25.85 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' CYS . . . . . 0.537 ' HA ' ' HA ' ' B' ' 13' ' ' CYS . 1.4 m -94.64 149.28 21.41 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -178.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.444 ' O ' ' HA ' ' B' ' 11' ' ' ARG . 0.0 OUTLIER -143.23 132.51 23.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.691 -1.14 . . . . 0.0 109.854 179.749 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . 0.578 HE22 ' CA ' ' B' ' 9' ' ' GLY . 2.8 tm0? -67.11 119.75 12.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.964 0.411 . . . . 0.0 110.735 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' ARG . . . . . 0.574 ' O ' ' O ' ' B' ' 10' ' ' ARG . 58.7 ttp85 -145.62 114.02 6.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.424 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . 0.674 ' C ' ' H ' ' B' ' 10' ' ' ARG . 22.6 mttm 58.33 62.55 1.96 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.937 178.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . 0.578 ' CA ' HE22 ' B' ' 6' ' ' GLN . . . 62.71 -21.79 0.07 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.371 -0.692 . . . . 0.0 111.371 178.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.674 ' H ' ' C ' ' B' ' 8' ' ' LYS . 0.0 OUTLIER -113.11 142.27 45.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.835 0.35 . . . . 0.0 110.465 179.682 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.444 ' HA ' ' O ' ' B' ' 5' ' ' ARG . 10.1 ptm180 -92.7 121.93 34.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.941 -179.1 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.562 ' CG2' ' HE ' ' B' ' 7' ' ' ARG . 11.7 pt -89.81 137.92 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 178.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . 0.537 ' HA ' ' HA ' ' B' ' 4' ' ' CYS . 0.0 OUTLIER -112.98 149.95 32.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.12 0.486 . . . . 0.0 111.618 -177.812 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . 0.513 ' CD1' HH12 ' B' ' 3' ' ' ARG . 81.3 mt -124.14 115.99 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.313 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.61 123.58 6.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.969 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.427 ' N ' ' O ' ' B' ' 1' ' ' ARG . 5.4 mm . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.58 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ' G' . . . . . 0.856 HO5' ' P ' ' A' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.441 2.262 0 C3'-C2'-C1' 102.609 1.233 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ' G' . . . . . 0.474 " O2'" " H5'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.199 0 C1'-O4'-C4' 107.959 -1.824 . 0.974 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ' C' . . . . . 0.502 " O2'" " H5'" ' A' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.199 0 C1'-O4'-C4' 107.881 -1.91 . 0.963 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ' A' . . . . . 0.502 " H5'" " O2'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.271 0 C1'-O4'-C4' 108.046 -1.726 . 0.956 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ' G' . . . . . 0.728 ' P ' ' HE ' ' B' ' 3' ' ' ARG . . . . . . . . 0 O4'--C1' 1.441 2.232 0 C3'-C2'-C1' 103.057 1.73 . 0.974 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ' A' . . . . . 0.625 " H5'" " O2'" ' A' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.24 0 C3'-C2'-C1' 103.455 2.173 . 0.953 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ' U' . . . . . 0.979 " H4'" ' OP1' ' A' ' 26' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.559 3.218 0 O5'-C5'-C4' 111.943 1.245 . 0.762 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ' C' . . . . . 0.986 ' OP1' " H2'" ' A' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.428 -2.057 0 C3'-C2'-C1' 103.437 2.152 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ' U' . . . . . 0.986 " H2'" ' OP1' ' A' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.429 -2.03 0 C3'-C2'-C1' 104.645 3.494 . 0.115 5p . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ' G' . . . . . 0.979 ' OP1' " H4'" ' A' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.379 0 C1'-O4'-C4' 107.745 -2.061 . 0.201 6d . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ' A' . . . . . 0.734 ' OP2' H5'' ' A' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.446 0 C1'-O4'-C4' 107.09 -2.789 . 0.953 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ' G' . . . . . 0.617 " H5'" " O2'" ' A' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.407 0 C1'-O4'-C4' 107.456 -2.382 . 0.877 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ' C' . . . . . 0.592 " H5'" " O2'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.225 0 C1'-O4'-C4' 107.591 -2.232 . 0.921 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . 0.5 " O2'" " H5'" ' A' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.348 0 C1'-O4'-C4' 107.732 -2.076 . 0.961 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ' U' . . . . . 0.836 " O2'" " H5'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 C3'-C2'-C1' 103.49 2.211 . 0.982 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ' G' . . . . . 0.836 " H5'" " O2'" ' A' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.432 -1.779 0 O4'-C4'-C3' 107.571 1.479 . 0.922 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ' G' . . . . . 0.627 ' P ' " O2'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.067 0 C3'-C2'-C1' 103.312 2.013 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ' G' . . . . . 0.805 " O2'" " H5'" ' A' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.356 0 C3'-C2'-C1' 104.608 3.453 . 0.437 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ' A' . . . . . 0.805 " H5'" " O2'" ' A' ' 34' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.496 -2.543 0 C4'-C3'-C2' 106.585 3.885 . 0.072 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 2.296 0 C4'-C3'-C2' 101.305 -1.395 . 0.709 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ' C' . . . . . 0.411 " O2'" " H5'" ' A' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.442 2.332 0 C4'-C3'-C2' 100.928 -1.772 . 0.967 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ' U' . . . . . 0.411 " H5'" " O2'" ' A' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.446 2.632 0 C4'-C3'-C2' 100.391 -2.309 . 0.943 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ' C' . . . . . 0.532 ' C2 ' ' C2 ' ' A' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.444 2.524 0 C1'-O4'-C4' 107.164 -2.707 . 0.908 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ' U' . . . . . 0.487 ' O2 ' ' C2 ' ' A' ' 26' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.441 2.237 0 O5'-C5'-C4' 112.919 1.942 . 0.933 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 2.273 0 C4'-C3'-C2' 100.771 -1.929 . 0.975 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.161 0 C4'-C3'-C2' 101.175 -1.525 . 0.984 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.186 0 C4'-C3'-C2' 100.981 -1.719 . 0.99 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ' C' . . . . . 0.49 " O2'" " H5'" ' A' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.343 0 C1'-O4'-C4' 107.953 -1.83 . 0.979 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ' C' . . . . . 0.49 " H5'" " O2'" ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.774 0 C3'-C2'-C1' 104.086 2.873 . 0.978 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 2.7 ptp85 . . . . . 0 CA--C 1.53 0.197 0 CA-C-O 120.556 0.217 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.44 HG23 ' H21' ' A' ' 34' ' ' ' G' . 0.0 OUTLIER -103.96 137.43 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.403 -179.738 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . 0.728 ' HE ' ' P ' ' A' ' 21' ' ' ' G' . 0.0 OUTLIER -96.06 117.51 30.83 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.357 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' CYS . . . . . 0.544 ' HA ' ' HA ' ' B' ' 13' ' ' CYS . 1.3 m -96.28 152.98 18.07 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -177.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.449 HH21 HD11 ' B' ' 12' ' ' ILE . 6.6 ttp180 -144.82 141.42 29.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 113.535 -1.666 . . . . 0.0 109.852 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -77.14 105.58 8.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.898 0.38 . . . . 0.0 110.784 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . 0.542 ' O ' ' O ' ' B' ' 10' ' ' ARG . 7.7 ttm180 -137.88 133.39 33.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.443 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . 0.655 ' C ' ' H ' ' B' ' 10' ' ' ARG . 35.4 mmtt 56.96 51.73 10.22 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . 0.475 ' N ' ' C5 ' ' A' ' 24' ' ' ' C' . . . 63.14 -20.37 0.08 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.767 HH11 ' N2 ' ' A' ' 32' ' ' ' G' . 3.4 tpp85 -108.96 159.83 16.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.793 0.33 . . . . 0.0 110.495 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.421 ' N ' ' HG3' ' B' ' 10' ' ' ARG . 10.5 ptm180 -95.0 114.11 25.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.952 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.449 HD11 HH21 ' B' ' 5' ' ' ARG . 2.2 pp -89.35 136.1 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . 0.544 ' HA ' ' HA ' ' B' ' 4' ' ' CYS . 0.1 OUTLIER -112.9 154.11 26.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.176 0.512 . . . . 0.0 111.64 -177.006 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 7.6 mt -125.34 118.99 54.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.355 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.476 ' CG ' ' O ' ' B' ' 15' ' ' ARG . 12.0 ptm180 -51.32 121.51 6.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.006 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.524 ' O ' ' C ' ' B' ' 17' ' ' DPR . 5.5 mm -136.9 80.36 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.59 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' DPR . . . . . 0.524 ' C ' ' O ' ' B' ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo . . . . . 0 C--N 1.302 -1.879 0 C-N-CA 123.032 2.488 . . . . 0.0 112.032 179.348 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ' G' . . . . . 0.862 HO5' ' P ' ' A' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.168 0 C3'-C2'-C1' 102.591 1.212 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ' G' . . . . . 0.508 " O2'" " H5'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.214 0 C1'-O4'-C4' 108.041 -1.733 . 0.975 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ' C' . . . . . 0.508 " H5'" " O2'" ' A' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.202 0 C1'-O4'-C4' 107.838 -1.958 . 0.97 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ' A' . . . . . 0.505 " H5'" " O2'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.272 0 C1'-O4'-C4' 108.064 -1.707 . 0.938 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ' G' . . . . . 0.647 " O2'" " H5'" ' A' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.441 2.226 0 C3'-C2'-C1' 103.097 1.775 . 0.966 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ' A' . . . . . 0.647 " H5'" " O2'" ' A' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.235 0 C3'-C2'-C1' 103.432 2.146 . 0.958 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ' U' . . . . . 0.95 " H4'" ' OP1' ' A' ' 26' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.556 2.87 0 O5'-C5'-C4' 111.941 1.244 . 0.725 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ' C' . . . . . 0.909 ' OP1' " H2'" ' A' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.145 0 C3'-C2'-C1' 103.43 2.144 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ' U' . . . . . 0.909 " H2'" ' OP1' ' A' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.13 0 C3'-C2'-C1' 104.63 3.478 . 0.18 5p . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ' G' . . . . . 0.95 ' OP1' " H4'" ' A' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.467 0 C1'-O4'-C4' 107.76 -2.044 . 0.172 6d . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ' A' . . . . . 0.76 ' OP2' H5'' ' A' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.496 0 C1'-O4'-C4' 107.146 -2.727 . 0.948 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ' G' . . . . . 0.687 " H5'" " O2'" ' A' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.472 0 C1'-O4'-C4' 107.513 -2.319 . 0.872 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ' C' . . . . . 0.599 " H5'" " O2'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.267 0 C1'-O4'-C4' 107.631 -2.188 . 0.92 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . 0.424 " H5'" " O2'" ' A' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.289 0 C1'-O4'-C4' 107.744 -2.062 . 0.965 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ' U' . . . . . 0.799 " O2'" " H5'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.523 0 C3'-C2'-C1' 103.487 2.208 . 0.988 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ' G' . . . . . 0.799 " H5'" " O2'" ' A' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.806 0 O4'-C4'-C3' 107.54 1.457 . 0.938 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ' G' . . . . . 0.663 ' P ' " O2'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.158 0 C3'-C2'-C1' 103.237 1.93 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ' G' . . . . . 0.826 " O2'" " H5'" ' A' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.4 0 C3'-C2'-C1' 104.662 3.513 . 0.866 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ' A' . . . . . 0.826 " H5'" " O2'" ' A' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -1.993 0 C3'-C2'-C1' 104.179 2.977 . 0.076 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 2.329 0 C4'-C3'-C2' 101.244 -1.456 . 0.716 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ' C' . . . . . 0.423 " O2'" " H5'" ' A' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.443 2.392 0 C1'-O4'-C4' 108.087 -1.681 . 0.927 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ' U' . . . . . 0.423 " H5'" " O2'" ' A' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.446 2.638 0 C4'-C3'-C2' 100.792 -1.908 . 0.935 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ' C' . . . . . 0.511 " O2'" " H5'" ' A' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.443 2.446 0 C1'-O4'-C4' 107.192 -2.676 . 0.914 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ' U' . . . . . 0.511 " H5'" " O2'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.175 0 O5'-C5'-C4' 112.876 1.912 . 0.935 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.554 2.745 0 C4'-C3'-C2' 100.595 -2.105 . 0.97 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.167 0 C4'-C3'-C2' 100.904 -1.796 . 0.976 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.628 9.461 1 O4'-C4'-C3' 97.973 -5.377 . 0.929 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ' C' . . . . . 0.5 " O2'" " H5'" ' A' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.327 0 C1'-O4'-C4' 107.939 -1.846 . 0.972 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ' C' . . . . . 0.5 " H5'" " O2'" ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.715 0 C3'-C2'-C1' 104.06 2.845 . 0.972 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ARG . . . . . 0.401 HH11 ' HB3' ' B' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.146 0 CA-C-O 120.598 0.237 . . . . 0.0 110.586 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.585 ' CG1' HH21 ' B' ' 15' ' ' ARG . 0.2 OUTLIER -103.36 134.05 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-O 120.821 0.343 . . . . 0.0 111.37 -179.874 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . 0.579 ' O ' ' HA ' ' B' ' 13' ' ' CYS . 0.8 OUTLIER -97.69 122.2 40.49 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.838 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' CYS . . . . . 0.513 ' HA ' ' HA ' ' B' ' 13' ' ' CYS . 4.5 m -97.53 151.43 20.04 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -177.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.595 ' NE ' ' OP2' ' A' ' 22' ' ' ' A' . 69.5 mtt180 -142.56 135.86 28.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.157 -1.383 . . . . 0.0 109.877 179.157 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 13.5 mp0 -70.73 115.44 9.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.956 0.408 . . . . 0.0 110.791 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . 0.648 ' O ' ' O ' ' B' ' 10' ' ' ARG . 10.9 ttm180 -144.3 153.89 42.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.444 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . 0.518 ' C ' ' H ' ' B' ' 10' ' ' ARG . 55.1 mmtt 32.96 45.32 0.06 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.975 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 72.39 -20.55 0.97 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.321 -0.711 . . . . 0.0 111.321 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.648 ' O ' ' O ' ' B' ' 7' ' ' ARG . 11.2 mmp_? -109.04 150.53 27.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 110.431 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.502 ' O ' " O4'" ' A' ' 34' ' ' ' G' . 8.5 ptm180 -86.42 112.55 21.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.966 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 2.2 pp -88.27 133.8 29.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . 0.579 ' HA ' ' O ' ' B' ' 3' ' ' ARG . 0.0 OUTLIER -113.31 152.89 29.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.143 0.497 . . . . 0.0 111.587 -177.336 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 tt -126.23 123.36 63.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.283 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.585 HH21 ' CG1' ' B' ' 2' ' ' VAL . 0.3 OUTLIER -61.02 133.53 56.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.967 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.528 ' O ' ' C ' ' B' ' 17' ' ' DPR . 0.3 OUTLIER -153.93 95.48 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.599 179.603 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' DPR . . . . . 0.528 ' C ' ' O ' ' B' ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' B' ' 16' ' ' ILE . 90.9 Cg_exo . . . . . 0 C--N 1.302 -1.9 0 C-N-CA 123.025 2.483 . . . . 0.0 112.016 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ' G' . . . . . 0.847 HO5' ' P ' ' A' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.441 2.211 0 C4'-C3'-C2' 101.377 -1.323 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ' G' . . . . . 0.417 " O2'" " H5'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.186 0 C1'-O4'-C4' 108.016 -1.76 . 0.977 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ' C' . . . . . 0.463 " O2'" " H5'" ' A' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.232 0 C1'-O4'-C4' 107.835 -1.961 . 0.975 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ' A' . . . . . 0.463 " H5'" " O2'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.442 2.312 0 C1'-O4'-C4' 108.057 -1.715 . 0.966 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ' G' . . . . . 0.637 " O2'" " H5'" ' A' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.204 0 C1'-O4'-C4' 108.064 -1.706 . 0.972 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ' A' . . . . . 0.637 " H5'" " O2'" ' A' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.198 0 C3'-C2'-C1' 103.499 2.221 . 0.956 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ' U' . . . . . 0.882 " H4'" ' OP1' ' A' ' 26' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.087 0 C5'-C4'-C3' 113.296 -1.47 . 0.763 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ' C' . . . . . 0.76 ' OP1' " H2'" ' A' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.428 -2.11 0 C3'-C2'-C1' 103.345 2.05 . 0.01 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ' U' . . . . . 0.76 " H2'" ' OP1' ' A' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.428 -2.073 0 C3'-C2'-C1' 104.5 3.334 . 0.087 5p . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ' G' . . . . . 0.882 ' OP1' " H4'" ' A' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.395 0 C1'-O4'-C4' 107.764 -2.04 . 0.276 6d . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ' A' . . . . . 0.639 " O2'" " H5'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.519 0 C1'-O4'-C4' 107.158 -2.713 . 0.934 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ' G' . . . . . 0.639 " H5'" " O2'" ' A' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.563 0 C1'-O4'-C4' 107.574 -2.252 . 0.9 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ' C' . . . . . 0.61 " H5'" " O2'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.295 0 C1'-O4'-C4' 107.601 -2.222 . 0.924 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . 0.459 " H5'" " O2'" ' A' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.291 0 C1'-O4'-C4' 107.791 -2.01 . 0.951 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ' U' . . . . . 0.794 " O2'" " H5'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.52 0 C3'-C2'-C1' 103.49 2.211 . 0.987 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ' G' . . . . . 0.794 " H5'" " O2'" ' A' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.863 0 O4'-C4'-C3' 107.546 1.461 . 0.937 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ' G' . . . . . 0.664 ' P ' " O2'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.064 0 C3'-C2'-C1' 103.24 1.933 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ' G' . . . . . 0.752 " O2'" " H5'" ' A' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.376 0 C3'-C2'-C1' 104.712 3.569 . 0.832 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ' A' . . . . . 0.752 " H5'" " O2'" ' A' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.43 -1.913 0 C3'-C2'-C1' 104.13 2.923 . 0.04 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 2.283 0 C4'-C3'-C2' 100.904 -1.796 . 0.683 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ' C' . . . . . 0.519 ' N4 ' HH12 ' B' ' 7' ' ' ARG . . . . . . . . 0 O4'--C1' 1.441 2.29 0 C1'-O4'-C4' 108.138 -1.624 . 0.957 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ' U' . . . . . 0.41 " H5'" " O2'" ' A' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.445 2.59 0 C4'-C3'-C2' 100.244 -2.456 . 0.937 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ' C' . . . . . 0.447 ' C2 ' ' C2 ' ' A' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.444 2.526 0 C1'-O4'-C4' 107.213 -2.652 . 0.925 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ' U' . . . . . 0.44 " H5'" " O2'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.231 0 O5'-C5'-C4' 112.907 1.934 . 0.934 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.549 2.256 0 C4'-C3'-C2' 100.824 -1.876 . 0.968 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.142 0 C4'-C3'-C2' 100.89 -1.81 . 0.981 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.107 0 C4'-C3'-C2' 100.776 -1.924 . 0.991 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ' C' . . . . . 0.472 " O2'" " H5'" ' A' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.226 0 C1'-O4'-C4' 107.954 -1.829 . 0.984 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ' C' . . . . . 0.472 " H5'" " O2'" ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.75 0 C3'-C2'-C1' 104.026 2.807 . 0.98 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ARG . . . . . 0.566 ' O ' ' O ' ' B' ' 16' ' ' ILE . 8.6 mtm180 . . . . . 0 CA--C 1.53 0.179 0 CA-C-O 120.603 0.24 . . . . 0.0 110.566 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.595 ' CG1' ' HE ' ' B' ' 15' ' ' ARG . 5.4 m -105.08 139.01 27.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.37 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . 0.59 ' O ' ' HA ' ' B' ' 13' ' ' CYS . 2.8 ttt-85 -96.74 119.36 35.09 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' CYS . . . . . 0.503 ' HA ' ' HA ' ' B' ' 13' ' ' CYS . 9.0 m -96.86 150.52 20.64 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.855 0.836 . . . . 0.0 113.14 -178.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.564 ' NE ' ' OP2' ' A' ' 22' ' ' ' A' . 50.6 mtt180 -145.25 137.16 25.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.921 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -72.1 101.7 2.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.806 0.336 . . . . 0.0 110.796 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . 0.519 HH12 ' N4 ' ' A' ' 37' ' ' ' C' . 12.1 ttm180 -134.61 129.55 35.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.379 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . 0.663 ' C ' ' H ' ' B' ' 10' ' ' ARG . 0.1 OUTLIER 60.33 54.62 3.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 178.894 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.3 -20.47 0.08 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 178.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.663 ' H ' ' C ' ' B' ' 8' ' ' LYS . 2.2 tpp180 -113.48 158.88 20.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.852 0.358 . . . . 0.0 110.451 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.465 ' N ' ' HG3' ' B' ' 10' ' ' ARG . 7.1 ptm180 -92.64 112.61 24.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 2.2 pp -90.94 137.43 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . 0.59 ' HA ' ' O ' ' B' ' 3' ' ' ARG . 0.0 OUTLIER -114.53 151.68 32.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.069 0.462 . . . . 0.0 111.614 -177.917 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 3.5 tt -126.95 126.27 68.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.272 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.595 ' HE ' ' CG1' ' B' ' 2' ' ' VAL . 11.0 tpp85 -52.35 114.78 1.46 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.019 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.566 ' O ' ' O ' ' B' ' 1' ' ' ARG . 9.4 mm -129.57 118.06 44.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.582 178.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . 0.46 ' O ' ' CG ' ' B' ' 1' ' ' ARG . 83.4 Cg_endo . . . . . 0 C--N 1.303 -1.847 0 C-N-CA 122.974 2.449 . . . . 0.0 112.015 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ' G' . . . . . 0.851 HO5' ' P ' ' A' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.198 0 C4'-C3'-C2' 101.45 -1.25 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ' G' . . . . . 0.458 " O2'" " H5'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.183 0 C1'-O4'-C4' 108.012 -1.765 . 0.974 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ' C' . . . . . 0.495 " O2'" " H5'" ' A' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.146 0 C1'-O4'-C4' 107.779 -2.023 . 0.968 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ' A' . . . . . 0.495 " H5'" " O2'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.442 2.309 0 C1'-O4'-C4' 108.066 -1.704 . 0.962 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ' G' . . . . . 0.692 " O2'" " H5'" ' A' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.271 0 C3'-C2'-C1' 103.005 1.672 . 0.98 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ' A' . . . . . 0.692 " H5'" " O2'" ' A' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.285 0 C3'-C2'-C1' 103.444 2.16 . 0.936 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ' U' . . . . . 0.991 " H4'" ' OP1' ' A' ' 26' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.549 2.301 0 O5'-C5'-C4' 112.053 1.323 . 0.773 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ' C' . . . . . 0.901 ' OP1' " H2'" ' A' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.135 0 C3'-C2'-C1' 103.37 2.077 . 0.01 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ' U' . . . . . 0.901 " H2'" ' OP1' ' A' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.428 -2.12 0 C3'-C2'-C1' 104.566 3.406 . 0.117 5p . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ' G' . . . . . 0.991 ' OP1' " H4'" ' A' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.349 0 C1'-O4'-C4' 107.702 -2.108 . 0.168 6d . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ' A' . . . . . 0.675 " O2'" " H5'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.335 0 C1'-O4'-C4' 107.127 -2.747 . 0.929 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ' G' . . . . . 0.675 " H5'" " O2'" ' A' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.562 0 C1'-O4'-C4' 107.556 -2.271 . 0.864 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ' C' . . . . . 0.627 ' H42' ' NH2' ' B' ' 7' ' ' ARG . . . . . . . . 0 O4'--C4' 1.427 -2.173 0 C1'-O4'-C4' 107.611 -2.21 . 0.93 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . 0.407 " O2'" " H5'" ' A' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.297 0 C1'-O4'-C4' 107.733 -2.074 . 0.973 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ' U' . . . . . 0.829 " O2'" " H5'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.522 0 C3'-C2'-C1' 103.426 2.14 . 0.985 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ' G' . . . . . 0.829 " H5'" " O2'" ' A' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.816 0 O4'-C4'-C3' 107.684 1.56 . 0.925 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ' G' . . . . . 0.632 ' P ' " O2'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.063 0 C3'-C2'-C1' 103.291 1.99 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ' G' . . . . . 0.775 " O2'" " H5'" ' A' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.346 0 C3'-C2'-C1' 104.633 3.481 . 0.402 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ' A' . . . . . 0.775 " H5'" " O2'" ' A' ' 34' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.498 -2.319 1 C4'-C3'-C2' 106.845 4.145 . 0.07 2[ . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ' G' . . . . . 0.512 ' N7 ' ' OP1' ' A' ' 35' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.552 2.516 0 C4'-C3'-C2' 100.968 -1.732 . 0.655 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ' C' . . . . . 0.416 " O2'" " H5'" ' A' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.443 2.379 0 C4'-C3'-C2' 101.004 -1.696 . 0.951 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ' U' . . . . . 0.419 " H2'" " O4'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.445 2.619 0 C4'-C3'-C2' 100.579 -2.121 . 0.949 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ' C' . . . . . 0.587 ' C2 ' ' C2 ' ' A' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.445 2.611 0 C1'-O4'-C4' 107.2 -2.667 . 0.915 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ' U' . . . . . 0.548 " H5'" " O2'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.208 0 O5'-C5'-C4' 112.919 1.942 . 0.937 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.158 0 C4'-C3'-C2' 100.904 -1.796 . 0.978 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.254 0 C4'-C3'-C2' 101.179 -1.521 . 0.986 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.095 0 C4'-C3'-C2' 101.053 -1.647 . 0.99 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ' C' . . . . . 0.478 " O2'" " H5'" ' A' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.213 0 C1'-O4'-C4' 107.94 -1.844 . 0.982 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ' C' . . . . . 0.478 " H5'" " O2'" ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.724 0 C3'-C2'-C1' 104.1 2.889 . 0.977 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ARG . . . . . 0.406 ' N ' ' C ' ' B' ' 17' ' ' DPR . 2.2 mmm-85 . . . . . 0 CA--C 1.529 0.166 0 CA-C-O 120.571 0.224 . . . . 0.0 110.576 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.45 ' HB ' ' SG ' ' B' ' 13' ' ' CYS . 0.1 OUTLIER -102.77 136.8 33.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.362 -179.583 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . 0.756 ' NH2' HH21 ' B' ' 5' ' ' ARG . 3.3 ttm180 -96.19 115.45 27.45 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' CYS . . . . . 0.53 ' HA ' ' O ' ' B' ' 12' ' ' ILE . 0.8 OUTLIER -100.88 150.63 22.64 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 -177.676 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.756 HH21 ' NH2' ' B' ' 3' ' ' ARG . 10.6 mtt180 -140.56 136.06 32.46 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 113.893 -1.503 . . . . 0.0 109.859 178.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . 0.882 ' H ' ' NE2' ' B' ' 6' ' ' GLN . 0.0 OUTLIER -70.2 120.0 15.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.947 0.403 . . . . 0.0 110.791 179.388 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . 0.627 ' NH2' ' H42' ' A' ' 29' ' ' ' C' . 35.4 ttp180 -145.34 122.77 11.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.423 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . 0.601 ' C ' ' H ' ' B' ' 10' ' ' ARG . 14.0 mttp 50.58 55.7 9.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.966 178.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . 0.664 ' N ' ' C5 ' ' A' ' 24' ' ' ' C' . . . 66.65 -20.55 0.19 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.276 -0.73 . . . . 0.0 111.276 178.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.601 ' H ' ' C ' ' B' ' 8' ' ' LYS . 4.9 mmp_? -108.39 142.69 38.37 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.434 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.403 ' O ' " O4'" ' A' ' 34' ' ' ' G' . 3.9 ptm180 -91.63 119.61 31.67 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.53 ' O ' ' HA ' ' B' ' 4' ' ' CYS . 10.4 pt -86.78 132.66 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 178.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . 0.45 ' SG ' ' HB ' ' B' ' 2' ' ' VAL . 0.5 OUTLIER -112.6 148.66 34.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.122 0.487 . . . . 0.0 111.586 -177.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . 0.429 HG23 HD11 ' B' ' 14' ' ' ILE . 44.2 mm -124.1 113.2 35.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.313 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.58 125.77 19.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.005 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.547 ' O ' ' C ' ' B' ' 17' ' ' DPR . 63.5 mt -146.09 87.42 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.553 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' DPR . . . . . 0.547 ' C ' ' O ' ' B' ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . 0.424 ' N ' ' O ' ' B' ' 16' ' ' ILE . 93.2 Cg_exo . . . . . 0 C--N 1.302 -1.872 0 C-N-CA 123.017 2.478 . . . . 0.0 112.019 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ' G' . . . . . 0.85 HO5' ' P ' ' A' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.121 0 C3'-C2'-C1' 102.698 1.331 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ' G' . . . . . 0.522 " O2'" " H5'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.242 0 C1'-O4'-C4' 108.011 -1.766 . 0.975 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ' C' . . . . . 0.544 " O2'" " H5'" ' A' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.22 0 C1'-O4'-C4' 107.855 -1.939 . 0.966 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ' A' . . . . . 0.544 " H5'" " O2'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.443 2.378 0 C1'-O4'-C4' 108.131 -1.632 . 0.943 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ' G' . . . . . 0.643 " O2'" " H5'" ' A' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.206 0 C3'-C2'-C1' 103.06 1.733 . 0.967 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ' A' . . . . . 0.643 " H5'" " O2'" ' A' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.205 0 C3'-C2'-C1' 103.46 2.177 . 0.956 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ' U' . . . . . 0.893 " H4'" ' OP1' ' A' ' 26' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.555 2.824 0 C5'-C4'-C3' 113.585 -1.276 . 0.722 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ' C' . . . . . 0.691 ' OP1' " H3'" ' A' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.426 -2.263 0 C3'-C2'-C1' 103.375 2.084 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ' U' . . . . . 0.691 " H3'" ' OP1' ' A' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.428 -2.098 0 C3'-C2'-C1' 104.592 3.436 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ' G' . . . . . 0.893 ' OP1' " H4'" ' A' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.329 0 C1'-O4'-C4' 107.721 -2.088 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ' A' . . . . . 0.672 ' OP2' H5'' ' A' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.422 0 C1'-O4'-C4' 107.106 -2.771 . 0.931 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ' G' . . . . . 0.571 " H5'" " O2'" ' A' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.565 0 C1'-O4'-C4' 107.623 -2.196 . 0.913 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ' C' . . . . . 0.665 ' H42' ' NH1' ' B' ' 7' ' ' ARG . . . . . . . . 0 O4'--C4' 1.426 -2.217 0 C1'-O4'-C4' 107.573 -2.252 . 0.93 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . 0.499 " O2'" " H5'" ' A' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.341 0 C1'-O4'-C4' 107.755 -2.05 . 0.965 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ' U' . . . . . 0.783 " O2'" " H5'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.504 0 C3'-C2'-C1' 103.505 2.228 . 0.979 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ' G' . . . . . 0.783 " H5'" " O2'" ' A' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.817 0 C3'-C2'-C1' 102.767 1.408 . 0.91 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ' G' . . . . . 0.722 ' P ' " O2'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.046 1 C4'-C3'-C2' 106.829 4.129 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ' G' . . . . . 0.742 " O2'" " H5'" ' A' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.375 0 C3'-C2'-C1' 104.606 3.451 . 0.01 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ' A' . . . . . 0.742 " H5'" " O2'" ' A' ' 34' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.49 -3.135 0 C4'-C3'-C2' 106.438 3.738 . 0.036 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.549 2.272 0 C4'-C3'-C2' 100.932 -1.768 . 0.625 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ' C' . . . . . 0.416 " O2'" " H5'" ' A' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.443 2.426 0 C1'-O4'-C4' 108.155 -1.606 . 0.965 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ' U' . . . . . 0.416 " H5'" " O2'" ' A' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.445 2.602 0 C4'-C3'-C2' 100.418 -2.282 . 0.946 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ' C' . . . . . 0.585 ' C2 ' ' C2 ' ' A' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.444 2.481 0 C1'-O4'-C4' 107.202 -2.665 . 0.921 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ' U' . . . . . 0.409 " H5'" " O2'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.26 0 O5'-C5'-C4' 112.851 1.894 . 0.932 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.165 0 C4'-C3'-C2' 100.929 -1.771 . 0.974 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.138 0 C3'-C2'-C1' 102.82 1.467 . 0.986 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.601 7.045 1 O4'-C4'-C3' 99.323 -4.412 . 0.964 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ' C' . . . . . 0.499 " O2'" " H5'" ' A' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.274 0 C1'-O4'-C4' 107.988 -1.791 . 0.973 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ' C' . . . . . 0.499 " H5'" " O2'" ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.71 0 C3'-C2'-C1' 104.093 2.881 . 0.976 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ARG . . . . . 0.429 ' HG3' ' H ' ' B' ' 2' ' ' VAL . 1.9 tpt180 . . . . . 0 CA--C 1.529 0.137 0 CA-C-O 120.594 0.235 . . . . 0.0 110.665 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.429 ' H ' ' HG3' ' B' ' 1' ' ' ARG . 2.1 m -103.01 137.74 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 111.333 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . 0.593 ' C ' ' NE ' ' B' ' 3' ' ' ARG . 0.0 OUTLIER -96.0 116.08 28.4 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 179.232 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' CYS . . . . . 0.592 ' SG ' ' NH1' ' B' ' 11' ' ' ARG . 1.6 m -94.67 150.84 19.81 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -177.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.55 ' N ' HH21 ' B' ' 3' ' ' ARG . 8.1 ttp180 -143.15 130.7 21.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.453 -1.249 . . . . 0.0 109.894 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . 0.678 ' NE2' ' N ' ' B' ' 6' ' ' GLN . 0.0 OUTLIER -63.73 122.61 16.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.923 0.392 . . . . 0.0 110.807 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . 0.665 ' NH1' ' H42' ' A' ' 29' ' ' ' C' . 2.7 ttp180 -144.71 105.93 4.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.409 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . 0.667 ' C ' ' H ' ' B' ' 10' ' ' ARG . 9.9 mttp 58.61 68.12 0.86 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 178.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . 0.562 ' N ' ' C5 ' ' A' ' 24' ' ' ' C' . . . 62.38 -23.07 0.07 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 178.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.667 ' H ' ' C ' ' B' ' 8' ' ' LYS . 0.0 OUTLIER -115.19 139.58 49.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.803 0.335 . . . . 0.0 110.463 179.729 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.592 ' NH1' ' SG ' ' B' ' 4' ' ' CYS . 32.0 ptt85 -93.86 125.97 38.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.926 -178.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.412 ' O ' ' NH2' ' B' ' 3' ' ' ARG . 28.8 pt -91.0 139.45 17.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 178.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . 0.543 ' HA ' ' HA ' ' B' ' 4' ' ' CYS . 0.0 OUTLIER -112.88 152.3 29.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.071 0.462 . . . . 0.0 111.591 -177.436 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . 0.406 ' CD1' ' NH1' ' B' ' 3' ' ' ARG . 46.3 mt -124.31 115.75 45.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.224 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -53.3 127.42 24.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.035 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.539 ' O ' ' C ' ' B' ' 17' ' ' DPR . 67.3 mt -145.66 89.68 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.596 179.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' DPR . . . . . 0.539 ' C ' ' O ' ' B' ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . 0.418 ' N ' ' O ' ' B' ' 16' ' ' ILE . 87.4 Cg_exo . . . . . 0 C--N 1.303 -1.868 0 C-N-CA 122.988 2.459 . . . . 0.0 112.085 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ' G' . . . . . 0.848 HO5' ' P ' ' A' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.441 2.228 0 C3'-C2'-C1' 102.716 1.351 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ' G' . . . . . 0.454 " O2'" " H5'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.244 0 C1'-O4'-C4' 107.994 -1.785 . 0.977 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ' C' . . . . . 0.513 " O2'" " H5'" ' A' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.238 0 C1'-O4'-C4' 107.831 -1.965 . 0.968 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ' A' . . . . . 0.513 " H5'" " O2'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.442 2.349 0 C1'-O4'-C4' 108.02 -1.755 . 0.956 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ' G' . . . . . 0.624 " O2'" " H5'" ' A' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.202 0 C1'-O4'-C4' 108.035 -1.739 . 0.974 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ' A' . . . . . 0.65 ' N7 ' ' NH1' ' B' ' 5' ' ' ARG . . . . . . . . 0 O4'--C4' 1.425 -2.311 0 C3'-C2'-C1' 103.476 2.196 . 0.953 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ' U' . . . . . 1.001 " H4'" ' OP1' ' A' ' 26' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.012 0 O4'-C4'-C3' 107.356 1.326 . 0.702 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ' C' . . . . . 0.917 ' OP1' H5'' ' A' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.426 -2.234 0 C3'-C2'-C1' 103.43 2.144 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ' U' . . . . . 0.917 H5'' ' OP1' ' A' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.152 0 C3'-C2'-C1' 104.615 3.461 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ' G' . . . . . 1.001 ' OP1' " H4'" ' A' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.475 0 C1'-O4'-C4' 107.696 -2.116 . 0.428 6d . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ' A' . . . . . 0.675 ' OP2' H5'' ' A' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.466 0 C1'-O4'-C4' 107.096 -2.782 . 0.935 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ' G' . . . . . 0.627 " H5'" " O2'" ' A' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.502 0 C1'-O4'-C4' 107.606 -2.216 . 0.879 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ' C' . . . . . 0.562 " H5'" " O2'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.211 0 C1'-O4'-C4' 107.541 -2.287 . 0.932 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . 0.454 " O2'" " H5'" ' A' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.426 -2.218 0 C1'-O4'-C4' 107.736 -2.071 . 0.969 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ' U' . . . . . 0.857 " O2'" " H5'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.521 0 C3'-C2'-C1' 103.543 2.27 . 0.983 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ' G' . . . . . 0.857 " H5'" " O2'" ' A' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.874 0 O4'-C4'-C3' 107.705 1.575 . 0.914 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ' G' . . . . . 0.599 " O5'" " O2'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.094 0 C3'-C2'-C1' 103.28 1.978 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ' G' . . . . . 0.782 " O2'" " H5'" ' A' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.373 0 C3'-C2'-C1' 104.675 3.528 . 0.432 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ' A' . . . . . 0.782 " H5'" " O2'" ' A' ' 34' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.491 -3.009 0 C4'-C3'-C2' 106.362 3.662 . 0.047 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.443 2.376 0 C4'-C3'-C2' 101.243 -1.457 . 0.686 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ' C' . . . . . 0.401 " O2'" " H5'" ' A' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.442 2.358 0 C4'-C3'-C2' 100.977 -1.723 . 0.978 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ' U' . . . . . 0.414 " H2'" " O4'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.445 2.612 0 C4'-C3'-C2' 100.544 -2.156 . 0.947 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ' C' . . . . . 0.528 ' C2 ' ' C2 ' ' A' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.445 2.584 0 C1'-O4'-C4' 107.177 -2.692 . 0.902 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ' U' . . . . . 0.5 " H5'" " O2'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.24 0 O5'-C5'-C4' 112.922 1.944 . 0.927 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.549 2.282 0 C4'-C3'-C2' 100.773 -1.927 . 0.974 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.125 0 C4'-C3'-C2' 101.065 -1.635 . 0.983 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.167 0 C4'-C3'-C2' 100.901 -1.799 . 0.989 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ' C' . . . . . 0.463 " O2'" " H5'" ' A' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.214 0 C1'-O4'-C4' 107.885 -1.906 . 0.982 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ' C' . . . . . 0.463 " H5'" " O2'" ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.709 0 C3'-C2'-C1' 104.074 2.859 . 0.981 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' B' ' 16' ' ' ILE . 17.3 ttp85 . . . . . 0 CA--C 1.53 0.178 0 CA-C-O 120.516 0.198 . . . . 0.0 110.642 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.416 ' H ' ' HG2' ' B' ' 1' ' ' ARG . 0.9 OUTLIER -103.21 138.64 26.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 120.815 0.341 . . . . 0.0 111.355 -179.727 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . 0.516 ' CD ' ' OP1' ' A' ' 21' ' ' ' G' . 4.3 ttt-85 -94.88 112.26 23.99 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' CYS . . . . . 0.543 ' HA ' ' HA ' ' B' ' 13' ' ' CYS . 1.3 m -92.48 147.97 22.47 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 121.65 0.738 . . . . 0.0 112.909 -178.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.65 ' NH1' ' N7 ' ' A' ' 22' ' ' ' A' . 1.9 ttm180 -142.38 133.54 26.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.879 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 20.8 tm0? -65.86 117.46 8.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.926 0.393 . . . . 0.0 110.748 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . 0.583 ' O ' ' O ' ' B' ' 10' ' ' ARG . 16.3 ttm180 -144.96 114.72 7.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.43 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . 0.669 ' C ' ' H ' ' B' ' 10' ' ' ARG . 14.2 mttm 59.87 62.49 1.67 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 178.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . 0.576 ' N ' ' C5 ' ' A' ' 24' ' ' ' C' . . . 63.08 -22.59 0.08 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 178.233 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.712 HH11 ' N2 ' ' A' ' 32' ' ' ' G' . 7.0 tpp85 -115.22 145.61 42.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.812 0.339 . . . . 0.0 110.412 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.469 ' HA ' ' O ' ' B' ' 5' ' ' ARG . 26.2 ptt180 -92.4 123.18 35.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.004 -178.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.412 HD12 ' HE ' ' B' ' 7' ' ' ARG . 5.4 pt -89.92 138.91 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 178.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . 0.543 ' HA ' ' HA ' ' B' ' 4' ' ' CYS . 0.1 OUTLIER -111.23 146.35 37.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.164 0.507 . . . . 0.0 111.549 -177.275 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . 0.467 HG23 HD13 ' B' ' 14' ' ' ILE . 46.8 mm -120.54 115.18 46.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.34 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.45 HH11 ' CB ' ' B' ' 15' ' ' ARG . 3.3 ptm85 -47.52 124.5 7.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.998 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.534 ' O ' ' C ' ' B' ' 17' ' ' DPR . 5.5 mm -141.25 83.21 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.561 179.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' DPR . . . . . 0.534 ' C ' ' O ' ' B' ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo . . . . . 0 C--N 1.303 -1.819 0 C-N-CA 122.987 2.458 . . . . 0.0 112.045 179.719 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ' G' . . . . . 0.844 HO5' ' P ' ' A' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.182 0 C4'-C3'-C2' 101.481 -1.219 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ' G' . . . . . 0.472 " O2'" " H5'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.24 0 C1'-O4'-C4' 108.03 -1.744 . 0.975 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ' C' . . . . . 0.518 " O2'" " H5'" ' A' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.211 0 C1'-O4'-C4' 107.76 -2.044 . 0.965 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ' A' . . . . . 0.518 " H5'" " O2'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.442 2.354 0 C1'-O4'-C4' 108.091 -1.677 . 0.954 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ' G' . . . . . 0.629 " O2'" " H5'" ' A' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.441 2.251 0 C1'-O4'-C4' 108.046 -1.727 . 0.968 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ' A' . . . . . 0.654 ' N7 ' ' NH1' ' B' ' 5' ' ' ARG . . . . . . . . 0 O4'--C4' 1.427 -2.165 0 C3'-C2'-C1' 103.446 2.162 . 0.956 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ' U' . . . . . 1.008 " H4'" ' OP1' ' A' ' 26' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.554 2.757 0 O5'-C5'-C4' 111.996 1.283 . 0.753 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ' C' . . . . . 1.007 ' OP1' " H2'" ' A' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.151 0 C3'-C2'-C1' 103.369 2.077 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ' U' . . . . . 1.007 " H2'" ' OP1' ' A' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.428 -2.104 0 C3'-C2'-C1' 104.605 3.45 . 0.082 5p . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ' G' . . . . . 1.008 ' OP1' " H4'" ' A' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.366 0 C1'-O4'-C4' 107.742 -2.065 . 0.126 6d . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ' A' . . . . . 0.701 ' OP2' H5'' ' A' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.517 0 C1'-O4'-C4' 107.2 -2.667 . 0.95 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ' G' . . . . . 0.684 " H5'" " O2'" ' A' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 C1'-O4'-C4' 107.577 -2.248 . 0.886 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ' C' . . . . . 0.654 " H5'" " O2'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.268 0 C1'-O4'-C4' 107.645 -2.172 . 0.909 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . 0.422 " H5'" " O2'" ' A' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.241 0 C1'-O4'-C4' 107.722 -2.086 . 0.956 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ' U' . . . . . 0.813 " O2'" " H5'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.577 0 C3'-C2'-C1' 103.508 2.232 . 0.987 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ' G' . . . . . 0.813 " H5'" " O2'" ' A' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.432 -1.76 0 O4'-C4'-C3' 107.57 1.479 . 0.936 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ' G' . . . . . 0.649 ' P ' " O2'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.134 0 C3'-C2'-C1' 103.256 1.952 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ' G' . . . . . 0.529 " C2'" ' C8 ' ' A' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.426 0 C3'-C2'-C1' 104.714 3.572 . 0.79 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ' A' . . . . . 0.529 ' C8 ' " C2'" ' A' ' 34' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.501 -2.053 0 C4'-C3'-C2' 105.883 3.183 . 0.039 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.55 2.395 0 C4'-C3'-C2' 100.961 -1.739 . 0.689 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ' C' . . . . . 0.67 ' N4 ' HH12 ' B' ' 7' ' ' ARG . . . . . . . . 0 O4'--C1' 1.444 2.46 0 C4'-C3'-C2' 100.907 -1.793 . 0.938 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ' U' . . . . . 0.43 ' C4 ' ' C5 ' ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.445 2.587 0 C4'-C3'-C2' 100.141 -2.559 . 0.953 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ' C' . . . . . 0.589 ' C2 ' ' C2 ' ' A' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.445 2.562 0 C1'-O4'-C4' 107.196 -2.671 . 0.919 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ' U' . . . . . 0.53 ' O2 ' ' C2 ' ' A' ' 26' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.441 2.252 0 O5'-C5'-C4' 112.855 1.896 . 0.932 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.547 2.132 0 C4'-C3'-C2' 100.783 -1.917 . 0.972 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.193 0 C4'-C3'-C2' 101.012 -1.688 . 0.983 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.181 0 C4'-C3'-C2' 101.171 -1.529 . 0.989 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ' C' . . . . . 0.509 " O2'" " H5'" ' A' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.316 0 C1'-O4'-C4' 107.996 -1.782 . 0.98 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ' C' . . . . . 0.509 " H5'" " O2'" ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.816 0 C3'-C2'-C1' 104.108 2.898 . 0.975 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ARG . . . . . 0.578 ' O ' ' O ' ' B' ' 16' ' ' ILE . 21.7 ttp85 . . . . . 0 CA--C 1.531 0.214 0 CA-C-O 120.54 0.209 . . . . 0.0 110.606 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.411 ' H ' ' HG2' ' B' ' 1' ' ' ARG . 15.7 m -125.51 136.09 61.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.387 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . 0.416 ' O ' ' HA ' ' B' ' 13' ' ' CYS . 4.9 ttt85 -98.4 132.28 43.99 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 177.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' CYS . . . . . 0.706 ' HA ' ' O ' ' B' ' 12' ' ' ILE . 23.2 m -105.34 146.07 29.89 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 122.104 0.954 . . . . 0.0 113.513 -177.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.654 ' NH1' ' N7 ' ' A' ' 22' ' ' ' A' . 1.7 ttm180 -135.84 137.47 41.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.33 -1.304 . . . . 0.0 109.835 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -70.35 121.54 17.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.883 0.373 . . . . 0.0 110.78 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . 0.67 HH12 ' N4 ' ' A' ' 37' ' ' ' C' . 0.0 OUTLIER -143.48 138.04 28.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.466 179.846 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' B' ' 7' ' ' ARG . 20.5 mmtm 36.65 45.12 0.37 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 77.03 -21.24 2.72 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.604 ' N ' ' O ' ' B' ' 7' ' ' ARG . 0.0 OUTLIER -104.09 139.8 38.67 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.462 179.777 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.451 ' CG ' ' O ' ' B' ' 11' ' ' ARG . 7.3 ptm180 -88.6 118.59 28.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.958 -179.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.706 ' O ' ' HA ' ' B' ' 4' ' ' CYS . 16.2 pt -86.41 130.77 36.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . 0.504 ' O ' " H4'" ' A' ' 35' ' ' ' A' . 74.7 m -111.86 100.71 9.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.139 0.495 . . . . 0.0 111.583 -178.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . 0.432 ' O ' HG13 ' B' ' 16' ' ' ILE . 36.2 mt -81.78 127.15 39.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.273 -178.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.612 ' NH2' ' O ' ' B' ' 17' ' ' DPR . 6.2 tpt180 -69.38 115.42 8.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.933 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.578 ' O ' ' O ' ' B' ' 1' ' ' ARG . 1.6 pp -141.73 158.18 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.586 179.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' DPR . . . . . 0.612 ' O ' ' NH2' ' B' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo . . . . . 0 C--N 1.304 -1.811 0 C-N-CA 123.035 2.49 . . . . 0.0 112.049 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ' G' . . . . . 0.854 HO5' ' P ' ' A' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.191 0 C3'-C2'-C1' 102.602 1.224 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ' G' . . . . . 0.483 " O2'" " H5'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.199 0 C1'-O4'-C4' 108.025 -1.75 . 0.975 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ' C' . . . . . 0.509 " O2'" " H5'" ' A' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.216 0 C1'-O4'-C4' 107.843 -1.953 . 0.964 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ' A' . . . . . 0.509 " H5'" " O2'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.442 2.335 0 C1'-O4'-C4' 107.999 -1.779 . 0.956 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ' G' . . . . . 0.606 " O2'" " H5'" ' A' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.228 0 C3'-C2'-C1' 103.065 1.739 . 0.982 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ' A' . . . . . 0.614 ' OP2' ' NE ' ' B' ' 5' ' ' ARG . . . . . . . . 0 O4'--C4' 1.427 -2.206 0 C3'-C2'-C1' 103.416 2.129 . 0.965 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ' U' . . . . . 0.968 " H4'" ' OP1' ' A' ' 26' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.557 3.028 0 O5'-C5'-C4' 111.963 1.259 . 0.697 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ' C' . . . . . 0.899 ' OP1' " H2'" ' A' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.428 -2.105 0 C3'-C2'-C1' 103.342 2.046 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ' U' . . . . . 0.899 " H2'" ' OP1' ' A' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.429 -2.037 0 C3'-C2'-C1' 104.598 3.443 . 0.129 5p . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ' G' . . . . . 0.968 ' OP1' " H4'" ' A' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.418 0 C1'-O4'-C4' 107.78 -2.022 . 0.123 6d . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ' A' . . . . . 0.68 " O2'" " H5'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.386 0 C1'-O4'-C4' 107.058 -2.825 . 0.928 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ' G' . . . . . 0.68 " H5'" " O2'" ' A' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.594 0 C1'-O4'-C4' 107.63 -2.189 . 0.871 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ' C' . . . . . 0.648 " H5'" " O2'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.384 0 C1'-O4'-C4' 107.652 -2.164 . 0.912 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . 0.429 " H5'" " O2'" ' A' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.178 0 C1'-O4'-C4' 107.694 -2.118 . 0.95 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ' U' . . . . . 0.817 " O2'" " H5'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.561 0 C3'-C2'-C1' 103.549 2.277 . 0.988 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ' G' . . . . . 0.817 " H5'" " O2'" ' A' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.432 -1.77 0 O4'-C4'-C3' 107.512 1.437 . 0.935 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ' G' . . . . . 0.645 ' P ' " O2'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.075 0 C3'-C2'-C1' 103.246 1.94 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ' G' . . . . . 0.731 " O2'" " H5'" ' A' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.448 0 C3'-C2'-C1' 104.634 3.483 . 0.831 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ' A' . . . . . 0.731 " H5'" " O2'" ' A' ' 34' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 1.964 0 C3'-C2'-C1' 104.142 2.935 . 0.058 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 2.335 0 C4'-C3'-C2' 100.987 -1.713 . 0.724 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ' C' . . . . . 0.421 " O2'" " H5'" ' A' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.444 2.459 0 C4'-C3'-C2' 100.978 -1.722 . 0.973 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ' U' . . . . . 0.479 ' C4 ' ' C5 ' ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.445 2.544 0 C4'-C3'-C2' 100.342 -2.358 . 0.938 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ' C' . . . . . 0.6 ' C2 ' ' C2 ' ' A' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.443 2.446 0 C1'-O4'-C4' 107.157 -2.714 . 0.911 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ' U' . . . . . 0.53 " H5'" " O2'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.286 0 O5'-C5'-C4' 112.973 1.98 . 0.934 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 2.247 0 C4'-C3'-C2' 100.848 -1.852 . 0.97 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.218 0 C4'-C3'-C2' 101.159 -1.541 . 0.984 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.162 0 C4'-C3'-C2' 100.937 -1.763 . 0.986 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ' C' . . . . . 0.473 " O2'" " H5'" ' A' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.334 0 C1'-O4'-C4' 107.945 -1.839 . 0.98 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ' C' . . . . . 0.473 " H5'" " O2'" ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.646 0 C3'-C2'-C1' 104.041 2.823 . 0.977 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' B' ' 16' ' ' ILE . 5.6 ttm-85 . . . . . 0 CA--C 1.529 0.154 0 CA-C-O 120.577 0.227 . . . . 0.0 110.663 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.446 HG23 ' H21' ' A' ' 34' ' ' ' G' . 0.8 OUTLIER -104.67 138.37 29.72 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 120.793 0.33 . . . . 0.0 111.385 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . 0.738 HH21 ' NH2' ' B' ' 5' ' ' ARG . 18.9 ttp-105 -95.53 114.9 26.71 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' CYS . . . . . 0.517 ' HA ' ' HA ' ' B' ' 13' ' ' CYS . 1.3 m -95.68 150.53 20.27 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 122.457 1.122 . . . . 0.0 113.819 -178.173 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.738 ' NH2' HH21 ' B' ' 3' ' ' ARG . 93.4 mtt180 -143.8 137.36 27.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.009 -1.45 . . . . 0.0 109.892 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -76.34 101.82 5.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.984 0.421 . . . . 0.0 110.742 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . 0.553 ' O ' ' O ' ' B' ' 10' ' ' ARG . 6.7 ttp180 -137.57 138.42 39.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.441 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . 0.676 ' NZ ' ' C8 ' ' A' ' 28' ' ' ' G' . 0.1 OUTLIER 58.36 47.8 13.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.608 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.83 -15.22 0.12 Allowed Glycine 0 CA--C 1.527 0.8 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.628 ' H ' ' C ' ' B' ' 8' ' ' LYS . 0.1 OUTLIER -115.67 160.72 19.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.859 0.361 . . . . 0.0 110.452 179.804 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.477 ' N ' ' HG3' ' B' ' 10' ' ' ARG . 4.5 ptm180 -93.63 112.29 24.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 28.5 pt -89.02 135.04 26.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.798 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . 0.517 ' HA ' ' HA ' ' B' ' 4' ' ' CYS . 0.0 OUTLIER -113.13 149.71 33.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.093 0.473 . . . . 0.0 111.646 -177.927 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 5.2 mp -126.76 117.85 49.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.322 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.55 ' CD ' ' N ' ' B' ' 15' ' ' ARG . 0.0 OUTLIER -45.84 133.18 8.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.98 -179.791 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.53 ' O ' ' C ' ' B' ' 17' ' ' DPR . 15.0 mm -149.64 83.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.506 179.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' DPR . . . . . 0.53 ' C ' ' O ' ' B' ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo . . . . . 0 C--N 1.303 -1.861 0 C-N-CA 123.044 2.496 . . . . 0.0 111.984 179.717 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ' G' . . . . . 0.845 HO5' ' P ' ' A' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.087 0 C3'-C2'-C1' 102.654 1.282 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ' G' . . . . . 0.458 " O2'" " H5'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.216 0 C1'-O4'-C4' 108.095 -1.673 . 0.979 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ' C' . . . . . 0.5 " O2'" " H5'" ' A' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.271 0 C1'-O4'-C4' 107.876 -1.916 . 0.967 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ' A' . . . . . 0.511 ' OP1' ' CG2' ' B' ' 16' ' ' ILE . . . . . . . . 0 O4'--C1' 1.443 2.387 0 C1'-O4'-C4' 107.997 -1.781 . 0.959 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ' G' . . . . . 0.588 " O2'" " H5'" ' A' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.186 0 C3'-C2'-C1' 103.024 1.693 . 0.97 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ' A' . . . . . 0.588 " H5'" " O2'" ' A' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.252 0 C3'-C2'-C1' 103.43 2.144 . 0.961 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ' U' . . . . . 0.857 " H4'" ' OP1' ' A' ' 26' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.561 3.34 0 O5'-C5'-C4' 112.037 1.312 . 0.763 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ' C' . . . . . 0.828 ' OP1' " H2'" ' A' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.426 -2.244 0 C3'-C2'-C1' 103.415 2.128 . 0.01 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ' U' . . . . . 0.828 " H2'" ' OP1' ' A' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.139 0 C3'-C2'-C1' 104.522 3.358 . 0.078 5p . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ' G' . . . . . 0.857 ' OP1' " H4'" ' A' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.413 0 C1'-O4'-C4' 107.75 -2.056 . 0.243 6d . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ' A' . . . . . 0.643 " O2'" " H5'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.359 0 C1'-O4'-C4' 107.182 -2.686 . 0.933 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ' G' . . . . . 0.643 " H5'" " O2'" ' A' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.519 0 C1'-O4'-C4' 107.594 -2.229 . 0.905 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ' C' . . . . . 0.61 " H5'" " O2'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.268 0 C1'-O4'-C4' 107.681 -2.132 . 0.922 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . 0.438 " H5'" " O2'" ' A' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.273 0 C1'-O4'-C4' 107.73 -2.077 . 0.96 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ' U' . . . . . 0.816 " O2'" " H5'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 C3'-C2'-C1' 103.556 2.285 . 0.988 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ' G' . . . . . 0.816 " H5'" " O2'" ' A' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.432 -1.764 0 O4'-C4'-C3' 107.506 1.433 . 0.934 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ' G' . . . . . 0.665 ' P ' " O2'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.052 0 C3'-C2'-C1' 103.279 1.976 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ' G' . . . . . 0.872 " O2'" " H5'" ' A' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.348 0 C3'-C2'-C1' 104.683 3.536 . 0.84 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ' A' . . . . . 0.872 " H5'" " O2'" ' A' ' 34' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.501 -2.055 0 C3'-C2'-C1' 104.21 3.011 . 0.093 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ' G' . . . . . 0.418 ' OP2' ' O ' ' B' ' 13' ' ' CYS . . . . . . . . 0 O4'--C1' 1.442 2.313 0 C4'-C3'-C2' 101.134 -1.566 . 0.713 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ' C' . . . . . 0.426 " O2'" " H5'" ' A' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.443 2.4 0 C1'-O4'-C4' 108.083 -1.685 . 0.947 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ' U' . . . . . 0.426 " H5'" " O2'" ' A' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.446 2.663 0 C4'-C3'-C2' 100.538 -2.162 . 0.933 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ' C' . . . . . 0.475 " O2'" " H5'" ' A' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.444 2.518 0 C1'-O4'-C4' 107.152 -2.72 . 0.926 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ' U' . . . . . 0.475 " H5'" " O2'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.272 0 O5'-C5'-C4' 112.883 1.916 . 0.939 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.109 0 C4'-C3'-C2' 100.999 -1.701 . 0.971 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.201 0 C4'-C3'-C2' 101.137 -1.563 . 0.986 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.16 0 C4'-C3'-C2' 100.916 -1.784 . 0.99 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ' C' . . . . . 0.493 " O2'" " H5'" ' A' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.313 0 C1'-O4'-C4' 107.935 -1.85 . 0.979 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ' C' . . . . . 0.493 " H5'" " O2'" ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.588 0 C3'-C2'-C1' 104.06 2.845 . 0.974 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ARG . . . . . 0.563 ' O ' ' O ' ' B' ' 16' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.153 0 CA-C-O 120.572 0.225 . . . . 0.0 110.701 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -109.1 135.27 48.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.402 -179.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . 0.627 ' O ' ' HA ' ' B' ' 13' ' ' CYS . 13.5 ttt-85 -98.62 131.51 44.75 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.204 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' CYS . . . . . 0.475 ' HA ' ' HA ' ' B' ' 13' ' ' CYS . 1.7 m -102.74 152.15 21.57 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 -178.079 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.488 HH21 ' CD1' ' B' ' 12' ' ' ILE . 12.4 ttp180 -140.99 129.35 22.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.619 -1.173 . . . . 0.0 109.907 179.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 41.9 tp60 -65.52 115.92 6.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.844 0.354 . . . . 0.0 110.721 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . 0.584 ' O ' ' O ' ' B' ' 10' ' ' ARG . 9.4 ttm180 -144.34 115.1 7.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.444 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . 0.688 ' C ' ' H ' ' B' ' 10' ' ' ARG . 7.4 mttp 60.31 64.13 1.27 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 178.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 62.52 -22.88 0.07 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.321 -0.712 . . . . 0.0 111.321 177.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.688 ' H ' ' C ' ' B' ' 8' ' ' LYS . 4.2 mmt-85 -116.5 145.67 43.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.809 0.338 . . . . 0.0 110.439 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.482 ' HA ' ' O ' ' B' ' 5' ' ' ARG . 29.5 ptt180 -94.02 123.51 37.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.979 -179.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.537 ' CD1' ' NH2' ' B' ' 7' ' ' ARG . 14.9 pt -89.84 139.21 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . 0.627 ' HA ' ' O ' ' B' ' 3' ' ' ARG . 0.1 OUTLIER -114.21 149.3 36.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.121 0.486 . . . . 0.0 111.54 -177.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . 0.4 ' O ' HG12 ' B' ' 16' ' ' ILE . 0.9 OUTLIER -128.37 131.2 69.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.255 178.744 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.19 116.42 9.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.007 -178.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.563 ' O ' ' O ' ' B' ' 1' ' ' ARG . 0.1 OUTLIER -151.66 166.18 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.616 177.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' DPR . . . . . 0.421 ' C ' ' O ' ' B' ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . 0.416 ' O ' ' CB ' ' B' ' 1' ' ' ARG . 88.4 Cg_endo . . . . . 0 C--N 1.303 -1.841 0 C-N-CA 123.012 2.474 . . . . 0.0 112.025 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ' G' . . . . . 0.861 HO5' ' P ' ' A' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.192 0 C3'-C2'-C1' 102.656 1.284 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ' G' . . . . . 0.477 " O2'" " H5'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.286 0 C1'-O4'-C4' 108.068 -1.702 . 0.974 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ' C' . . . . . 0.506 " O2'" " H5'" ' A' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.247 0 C1'-O4'-C4' 107.813 -1.986 . 0.964 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ' A' . . . . . 0.506 " H5'" " O2'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.442 2.349 0 C1'-O4'-C4' 108.063 -1.708 . 0.954 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ' G' . . . . . 0.624 " O2'" " H5'" ' A' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.44 2.153 0 C3'-C2'-C1' 103.074 1.749 . 0.968 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ' A' . . . . . 0.649 ' N7 ' ' NH1' ' B' ' 5' ' ' ARG . . . . . . . . 0 O4'--C4' 1.428 -2.125 0 C3'-C2'-C1' 103.464 2.182 . 0.956 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ' U' . . . . . 0.89 " H4'" ' OP1' ' A' ' 26' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.551 2.457 0 C5'-C4'-C3' 113.007 -1.662 . 0.64 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ' C' . . . . . 0.929 H5'' ' OP2' ' A' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.195 0 C4'-C3'-C2' 106.687 3.987 OUTLIER-DELTA 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ' U' . . . . . 0.929 ' OP2' H5'' ' A' ' 24' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.56 3.302 0 C4'-C3'-C2' 106.363 3.663 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ' G' . . . . . 0.89 ' OP1' " H4'" ' A' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.402 0 C1'-O4'-C4' 107.792 -2.009 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ' A' . . . . . 0.677 " O2'" " H5'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.448 0 C1'-O4'-C4' 107.083 -2.797 . 0.944 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ' G' . . . . . 0.677 " H5'" " O2'" ' A' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.448 0 C1'-O4'-C4' 107.58 -2.245 . 0.854 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ' C' . . . . . 0.613 " H5'" " O2'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.237 0 C1'-O4'-C4' 107.566 -2.26 . 0.925 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . 0.41 ' C4 ' ' C5 ' ' A' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.426 -2.277 0 C1'-O4'-C4' 107.737 -2.07 . 0.959 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ' U' . . . . . 0.816 " O2'" " H5'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C3'-C2'-C1' 103.432 2.147 . 0.987 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ' G' . . . . . 0.816 " H5'" " O2'" ' A' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.432 -1.788 0 C3'-C2'-C1' 102.814 1.46 . 0.934 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ' G' . . . . . 0.646 ' P ' " O2'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.123 0 C3'-C2'-C1' 103.196 1.884 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ' G' . . . . . 0.758 " O2'" " H5'" ' A' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.366 0 C3'-C2'-C1' 104.595 3.439 . 0.803 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ' A' . . . . . 0.758 " H5'" " O2'" ' A' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.43 -1.905 0 C3'-C2'-C1' 104.153 2.947 . 0.047 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 2.334 0 C4'-C3'-C2' 101.125 -1.575 . 0.72 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ' C' . . . . . 0.424 " O2'" " H5'" ' A' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.443 2.394 0 C1'-O4'-C4' 108.095 -1.673 . 0.973 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ' U' . . . . . 0.424 " H5'" " O2'" ' A' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.446 2.638 0 C1'-O4'-C4' 108.043 -1.73 . 0.942 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ' C' . . . . . 0.569 " O2'" " H5'" ' A' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.444 2.523 0 C1'-O4'-C4' 107.176 -2.693 . 0.923 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ' U' . . . . . 0.569 " H5'" " O2'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.23 0 O5'-C5'-C4' 112.889 1.921 . 0.951 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.551 2.45 0 C4'-C3'-C2' 100.685 -2.015 . 0.978 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.109 0 C4'-C3'-C2' 100.98 -1.72 . 0.982 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ' G' . . . . . 0.404 " O2'" " H5'" ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.138 0 O4'-C4'-C3' 103.174 -1.662 . 0.984 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ' C' . . . . . 0.498 " O2'" " H5'" ' A' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.244 0 C1'-O4'-C4' 108.005 -1.772 . 0.978 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ' C' . . . . . 0.498 " H5'" " O2'" ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.696 0 C3'-C2'-C1' 104.104 2.893 . 0.977 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ARG . . . . . 0.472 ' CG ' HH11 ' B' ' 1' ' ' ARG . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.168 0 CA-C-O 120.652 0.263 . . . . 0.0 110.557 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.453 ' H ' ' HG2' ' B' ' 1' ' ' ARG . 1.3 m -101.84 138.22 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 120.859 0.361 . . . . 0.0 111.372 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . 0.528 ' O ' ' HA ' ' B' ' 13' ' ' CYS . 8.7 ttt-85 -94.26 113.86 25.85 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' CYS . . . . . 0.537 ' HA ' ' HA ' ' B' ' 13' ' ' CYS . 1.4 m -94.64 149.28 21.41 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -178.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.649 ' NH1' ' N7 ' ' A' ' 22' ' ' ' A' . 0.0 OUTLIER -143.23 132.51 23.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.691 -1.14 . . . . 0.0 109.854 179.749 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . 0.578 HE22 ' CA ' ' B' ' 9' ' ' GLY . 2.8 tm0? -67.11 119.75 12.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.964 0.411 . . . . 0.0 110.735 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . 0.574 ' O ' ' O ' ' B' ' 10' ' ' ARG . 58.7 ttp85 -145.62 114.02 6.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.424 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . 0.674 ' C ' ' H ' ' B' ' 10' ' ' ARG . 22.6 mttm 58.33 62.55 1.96 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.937 178.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . 0.578 ' CA ' HE22 ' B' ' 6' ' ' GLN . . . 62.71 -21.79 0.07 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.371 -0.692 . . . . 0.0 111.371 178.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.674 ' H ' ' C ' ' B' ' 8' ' ' LYS . 0.0 OUTLIER -113.11 142.27 45.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.835 0.35 . . . . 0.0 110.465 179.682 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.444 ' HA ' ' O ' ' B' ' 5' ' ' ARG . 10.1 ptm180 -92.7 121.93 34.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.941 -179.1 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.562 ' CG2' ' HE ' ' B' ' 7' ' ' ARG . 11.7 pt -89.81 137.92 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 178.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . 0.537 ' HA ' ' HA ' ' B' ' 4' ' ' CYS . 0.0 OUTLIER -112.98 149.95 32.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.12 0.486 . . . . 0.0 111.618 -177.812 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . 0.513 ' CD1' HH12 ' B' ' 3' ' ' ARG . 81.3 mt -124.14 115.99 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.313 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.61 123.58 6.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.969 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.53 ' O ' ' C ' ' B' ' 17' ' ' DPR . 5.4 mm -139.53 84.35 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.58 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' DPR . . . . . 0.53 ' C ' ' O ' ' B' ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo . . . . . 0 C--N 1.304 -1.811 0 C-N-CA 122.999 2.466 . . . . 0.0 111.978 179.974 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 2.7 ptp85 . . . . . 0 CA--C 1.53 0.197 0 CA-C-O 120.556 0.217 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.427 ' HB ' ' SG ' ' B' ' 13' ' ' CYS . 0.0 OUTLIER -103.96 137.43 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.403 -179.738 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 3' ' ' ARG . . . . . 0.573 ' CG ' HH11 ' B' ' 3' ' ' ARG . 0.0 OUTLIER -96.06 117.51 30.83 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.357 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 4' ' ' CYS . . . . . 0.571 ' HA ' ' HA ' ' B' ' 13' ' ' CYS . 1.3 m -96.28 152.98 18.07 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -177.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.419 ' HE ' HD11 ' B' ' 12' ' ' ILE . 6.6 ttp180 -144.82 141.42 29.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 113.535 -1.666 . . . . 0.0 109.852 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -77.14 105.58 8.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.898 0.38 . . . . 0.0 110.784 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' ARG . . . . . 0.542 ' O ' ' O ' ' B' ' 10' ' ' ARG . 7.7 ttm180 -137.88 133.39 33.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.443 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' LYS . . . . . 0.632 ' C ' ' H ' ' B' ' 10' ' ' ARG . 35.4 mmtt 56.96 51.73 10.22 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.14 -20.37 0.08 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.632 ' H ' ' C ' ' B' ' 8' ' ' LYS . 3.4 tpp85 -108.96 159.83 16.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.793 0.33 . . . . 0.0 110.495 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.408 ' N ' ' HG3' ' B' ' 10' ' ' ARG . 10.5 ptm180 -95.0 114.11 25.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.952 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.419 HD11 ' HE ' ' B' ' 5' ' ' ARG . 2.2 pp -89.35 136.1 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' CYS . . . . . 0.571 ' HA ' ' HA ' ' B' ' 4' ' ' CYS . 0.1 OUTLIER -112.9 154.11 26.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.176 0.512 . . . . 0.0 111.64 -177.006 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 7.6 mt -125.34 118.99 54.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.355 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.476 ' O ' ' CG ' ' B' ' 15' ' ' ARG . 12.0 ptm180 -51.32 121.51 6.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.006 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.526 ' O ' HG22 ' B' ' 16' ' ' ILE . 5.5 mm . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.59 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 1' ' ' ARG . . . . . 0.417 HH11 ' HB3' ' B' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.146 0 CA-C-O 120.598 0.237 . . . . 0.0 110.586 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.602 ' CG1' HH21 ' B' ' 15' ' ' ARG . 0.2 OUTLIER -103.36 134.05 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-O 120.821 0.343 . . . . 0.0 111.37 -179.874 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 3' ' ' ARG . . . . . 0.584 ' O ' ' HA ' ' B' ' 13' ' ' CYS . 0.8 OUTLIER -97.69 122.2 40.49 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.838 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 4' ' ' CYS . . . . . 0.551 ' HA ' ' HA ' ' B' ' 13' ' ' CYS . 4.5 m -97.53 151.43 20.04 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -177.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -142.56 135.86 28.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.157 -1.383 . . . . 0.0 109.877 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 13.5 mp0 -70.73 115.44 9.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.956 0.408 . . . . 0.0 110.791 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' ARG . . . . . 0.648 ' O ' ' O ' ' B' ' 10' ' ' ARG . 10.9 ttm180 -144.3 153.89 42.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.444 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 8' ' ' LYS . . . . . 0.487 ' C ' ' O ' ' B' ' 7' ' ' ARG . 55.1 mmtt 32.96 45.32 0.06 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.975 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 72.39 -20.55 0.97 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.321 -0.711 . . . . 0.0 111.321 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.648 ' O ' ' O ' ' B' ' 7' ' ' ARG . 11.2 mmp_? -109.04 150.53 27.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 110.431 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.486 ' O ' ' CG ' ' B' ' 11' ' ' ARG . 8.5 ptm180 -86.42 112.55 21.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.966 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 2.2 pp -88.27 133.8 29.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' CYS . . . . . 0.584 ' HA ' ' O ' ' B' ' 3' ' ' ARG . 0.0 OUTLIER -113.31 152.89 29.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.143 0.497 . . . . 0.0 111.587 -177.336 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ILE . . . . . 0.437 HG22 ' O ' ' B' ' 3' ' ' ARG . 1.4 tt -126.23 123.36 63.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.283 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.602 HH21 ' CG1' ' B' ' 2' ' ' VAL . 0.3 OUTLIER -61.02 133.53 56.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.967 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.414 HD12 ' O ' ' B' ' 1' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.599 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 1' ' ' ARG . . . . . 0.566 ' O ' ' O ' ' B' ' 16' ' ' ILE . 8.6 mtm180 . . . . . 0 CA--C 1.53 0.179 0 CA-C-O 120.603 0.24 . . . . 0.0 110.566 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.636 HG12 ' HE ' ' B' ' 15' ' ' ARG . 5.4 m -105.08 139.01 27.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.37 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 3' ' ' ARG . . . . . 0.592 ' O ' ' HA ' ' B' ' 13' ' ' CYS . 2.8 ttt-85 -96.74 119.36 35.09 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 4' ' ' CYS . . . . . 0.524 ' HA ' ' HA ' ' B' ' 13' ' ' CYS . 9.0 m -96.86 150.52 20.64 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.855 0.836 . . . . 0.0 113.14 -178.208 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 50.6 mtt180 -145.25 137.16 25.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.921 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -72.1 101.7 2.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.806 0.336 . . . . 0.0 110.796 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' ARG . . . . . 0.509 ' O ' ' O ' ' B' ' 10' ' ' ARG . 12.1 ttm180 -134.61 129.55 35.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.379 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' LYS . . . . . 0.633 ' C ' ' H ' ' B' ' 10' ' ' ARG . 0.1 OUTLIER 60.33 54.62 3.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 178.894 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.3 -20.47 0.08 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 178.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.633 ' H ' ' C ' ' B' ' 8' ' ' LYS . 2.2 tpp180 -113.48 158.88 20.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.852 0.358 . . . . 0.0 110.451 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.449 ' N ' ' HG3' ' B' ' 10' ' ' ARG . 7.1 ptm180 -92.64 112.61 24.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.419 HD13 ' NH2' ' B' ' 7' ' ' ARG . 2.2 pp -90.94 137.43 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.128 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' CYS . . . . . 0.592 ' HA ' ' O ' ' B' ' 3' ' ' ARG . 0.0 OUTLIER -114.53 151.68 32.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.069 0.462 . . . . 0.0 111.614 -177.917 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 3.5 tt -126.95 126.27 68.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.272 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.636 ' HE ' HG12 ' B' ' 2' ' ' VAL . 11.0 tpp85 -52.35 114.78 1.46 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.019 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.566 ' O ' ' O ' ' B' ' 1' ' ' ARG . 9.4 mm . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.582 178.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 2.2 mmm-85 . . . . . 0 CA--C 1.529 0.166 0 CA-C-O 120.571 0.224 . . . . 0.0 110.576 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.46 ' HB ' ' SG ' ' B' ' 13' ' ' CYS . 0.1 OUTLIER -102.77 136.8 33.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.362 -179.583 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 3' ' ' ARG . . . . . 0.768 ' NH2' HH21 ' B' ' 5' ' ' ARG . 3.3 ttm180 -96.19 115.45 27.45 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.006 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 4' ' ' CYS . . . . . 0.506 ' HA ' ' O ' ' B' ' 12' ' ' ILE . 0.8 OUTLIER -100.88 150.63 22.64 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 -177.676 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.768 HH21 ' NH2' ' B' ' 3' ' ' ARG . 10.6 mtt180 -140.56 136.06 32.46 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 113.893 -1.503 . . . . 0.0 109.859 178.054 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 6' ' ' GLN . . . . . 0.703 ' O ' ' NE2' ' B' ' 6' ' ' GLN . 1.3 pm0 -70.2 120.0 15.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.947 0.403 . . . . 0.0 110.791 179.388 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' ARG . . . . . 0.569 ' O ' ' O ' ' B' ' 10' ' ' ARG . 35.4 ttp180 -145.34 122.77 11.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.423 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' LYS . . . . . 0.57 ' C ' ' H ' ' B' ' 10' ' ' ARG . 14.0 mttp 50.58 55.7 9.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.966 178.691 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 66.65 -20.55 0.19 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.276 -0.73 . . . . 0.0 111.276 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.57 ' H ' ' C ' ' B' ' 8' ' ' LYS . 4.9 mmp_? -108.39 142.69 38.37 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.434 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -91.63 119.61 31.67 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.506 ' O ' ' HA ' ' B' ' 4' ' ' CYS . 10.4 pt -86.78 132.66 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 178.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' CYS . . . . . 0.484 ' HA ' ' HA ' ' B' ' 4' ' ' CYS . 0.5 OUTLIER -112.6 148.66 34.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.122 0.487 . . . . 0.0 111.586 -177.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ILE . . . . . 0.425 HG13 ' NH2' ' B' ' 5' ' ' ARG . 44.2 mm -124.1 113.2 35.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.313 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.58 125.77 19.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.005 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.69 HD12 ' HB2' ' B' ' 3' ' ' ARG . 63.5 mt . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.553 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 1' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' B' ' 1' ' ' ARG . 1.9 tpt180 . . . . . 0 CA--C 1.529 0.137 0 CA-C-O 120.594 0.235 . . . . 0.0 110.665 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.506 HG12 ' HA ' ' B' ' 15' ' ' ARG . 2.1 m -103.01 137.74 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 111.333 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 3' ' ' ARG . . . . . 0.64 ' HB2' HD12 ' B' ' 16' ' ' ILE . 0.0 OUTLIER -96.0 116.08 28.4 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 179.232 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 4' ' ' CYS . . . . . 0.592 ' SG ' ' NH1' ' B' ' 11' ' ' ARG . 1.6 m -94.67 150.84 19.81 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -177.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.561 ' N ' HH21 ' B' ' 3' ' ' ARG . 8.1 ttp180 -143.15 130.7 21.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.453 -1.249 . . . . 0.0 109.894 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' GLN . . . . . 0.694 ' CD ' ' H ' ' B' ' 6' ' ' GLN . 0.0 OUTLIER -63.73 122.61 16.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.923 0.392 . . . . 0.0 110.807 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 7' ' ' ARG . . . . . 0.566 ' O ' ' O ' ' B' ' 10' ' ' ARG . 2.7 ttp180 -144.71 105.93 4.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.409 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' LYS . . . . . 0.642 ' C ' ' H ' ' B' ' 10' ' ' ARG . 9.9 mttp 58.61 68.12 0.86 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 178.146 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 62.38 -23.07 0.07 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 178.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.642 ' H ' ' C ' ' B' ' 8' ' ' LYS . 0.0 OUTLIER -115.19 139.58 49.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.803 0.335 . . . . 0.0 110.463 179.729 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.592 ' NH1' ' SG ' ' B' ' 4' ' ' CYS . 32.0 ptt85 -93.86 125.97 38.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.926 -178.513 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.412 ' O ' ' NH2' ' B' ' 3' ' ' ARG . 28.8 pt -91.0 139.45 17.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 178.269 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' CYS . . . . . 0.574 ' HA ' ' HA ' ' B' ' 4' ' ' CYS . 0.0 OUTLIER -112.88 152.3 29.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.071 0.462 . . . . 0.0 111.591 -177.436 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ILE . . . . . 0.5 HD12 ' NH1' ' B' ' 3' ' ' ARG . 46.3 mt -124.31 115.75 45.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.224 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.506 ' HA ' HG12 ' B' ' 2' ' ' VAL . 42.5 ttp180 -53.3 127.42 24.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.035 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.64 HD12 ' HB2' ' B' ' 3' ' ' ARG . 67.3 mt . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.596 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 17.3 ttp85 . . . . . 0 CA--C 1.53 0.178 0 CA-C-O 120.516 0.198 . . . . 0.0 110.642 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.492 HG12 ' HA ' ' B' ' 15' ' ' ARG . 0.9 OUTLIER -103.21 138.64 26.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 120.815 0.341 . . . . 0.0 111.355 -179.727 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 3' ' ' ARG . . . . . 0.478 ' O ' ' HA ' ' B' ' 13' ' ' CYS . 4.3 ttt-85 -94.88 112.26 23.99 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.606 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 4' ' ' CYS . . . . . 0.568 ' HA ' ' HA ' ' B' ' 13' ' ' CYS . 1.3 m -92.48 147.97 22.47 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 121.65 0.738 . . . . 0.0 112.909 -178.41 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.47 ' O ' ' HA ' ' B' ' 11' ' ' ARG . 1.9 ttm180 -142.38 133.54 26.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.879 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 20.8 tm0? -65.86 117.46 8.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.926 0.393 . . . . 0.0 110.748 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' ARG . . . . . 0.687 ' CZ ' HD13 ' B' ' 12' ' ' ILE . 16.3 ttm180 -144.96 114.72 7.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.43 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' LYS . . . . . 0.631 ' C ' ' H ' ' B' ' 10' ' ' ARG . 14.2 mttm 59.87 62.49 1.67 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 178.399 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.08 -22.59 0.08 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 178.233 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.631 ' H ' ' C ' ' B' ' 8' ' ' LYS . 7.0 tpp85 -115.22 145.61 42.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.812 0.339 . . . . 0.0 110.412 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.47 ' HA ' ' O ' ' B' ' 5' ' ' ARG . 26.2 ptt180 -92.4 123.18 35.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.004 -178.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.687 HD13 ' CZ ' ' B' ' 7' ' ' ARG . 5.4 pt -89.92 138.91 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 178.545 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' CYS . . . . . 0.568 ' HA ' ' HA ' ' B' ' 4' ' ' CYS . 0.1 OUTLIER -111.23 146.35 37.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.164 0.507 . . . . 0.0 111.549 -177.275 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ILE . . . . . 0.419 HG13 HH12 ' B' ' 3' ' ' ARG . 46.8 mm -120.54 115.18 46.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.34 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.492 ' HA ' HG12 ' B' ' 2' ' ' VAL . 3.3 ptm85 -47.52 124.5 7.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.998 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.559 ' O ' HG22 ' B' ' 16' ' ' ILE . 5.5 mm . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.561 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 1' ' ' ARG . . . . . 0.578 ' O ' ' O ' ' B' ' 16' ' ' ILE . 21.7 ttp85 . . . . . 0 CA--C 1.531 0.214 0 CA-C-O 120.54 0.209 . . . . 0.0 110.606 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.658 HG12 ' HA ' ' B' ' 15' ' ' ARG . 15.7 m -125.51 136.09 61.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.387 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 3' ' ' ARG . . . . . 0.434 ' O ' ' HA ' ' B' ' 13' ' ' CYS . 4.9 ttt85 -98.4 132.28 43.99 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 177.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 4' ' ' CYS . . . . . 0.7 ' HA ' ' O ' ' B' ' 12' ' ' ILE . 23.2 m -105.34 146.07 29.89 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 122.104 0.954 . . . . 0.0 113.513 -177.65 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.44 ' O ' ' HA ' ' B' ' 11' ' ' ARG . 1.7 ttm180 -135.84 137.47 41.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.33 -1.304 . . . . 0.0 109.835 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -70.35 121.54 17.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.883 0.373 . . . . 0.0 110.78 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' ARG . . . . . 0.639 ' HG2' ' HZ3' ' B' ' 8' ' ' LYS . 0.0 OUTLIER -143.48 138.04 28.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.466 179.846 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 8' ' ' LYS . . . . . 0.639 ' HZ3' ' HG2' ' B' ' 7' ' ' ARG . 20.5 mmtm 36.65 45.12 0.37 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.433 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 77.03 -21.24 2.72 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.604 ' N ' ' O ' ' B' ' 7' ' ' ARG . 0.0 OUTLIER -104.09 139.8 38.67 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.462 179.777 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.451 ' O ' ' CG ' ' B' ' 11' ' ' ARG . 7.3 ptm180 -88.6 118.59 28.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.958 -179.619 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.7 ' O ' ' HA ' ' B' ' 4' ' ' CYS . 16.2 pt -86.41 130.77 36.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' CYS . . . . . 0.483 ' HA ' ' HA ' ' B' ' 4' ' ' CYS . 74.7 m -111.86 100.71 9.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.139 0.495 . . . . 0.0 111.583 -178.576 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ILE . . . . . 0.446 ' O ' HG13 ' B' ' 16' ' ' ILE . 36.2 mt -81.78 127.15 39.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.273 -178.372 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.658 ' HA ' HG12 ' B' ' 2' ' ' VAL . 6.2 tpt180 -69.38 115.42 8.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.933 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.751 ' O ' HD12 ' B' ' 16' ' ' ILE . 1.6 pp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.586 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 1' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' B' ' 16' ' ' ILE . 5.6 ttm-85 . . . . . 0 CA--C 1.529 0.154 0 CA-C-O 120.577 0.227 . . . . 0.0 110.663 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -104.67 138.37 29.72 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 120.793 0.33 . . . . 0.0 111.385 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 3' ' ' ARG . . . . . 0.749 HH21 ' NH2' ' B' ' 5' ' ' ARG . 18.9 ttp-105 -95.53 114.9 26.71 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 4' ' ' CYS . . . . . 0.546 ' HA ' ' HA ' ' B' ' 13' ' ' CYS . 1.3 m -95.68 150.53 20.27 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 122.457 1.122 . . . . 0.0 113.819 -178.173 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.749 ' NH2' HH21 ' B' ' 3' ' ' ARG . 93.4 mtt180 -143.8 137.36 27.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.009 -1.45 . . . . 0.0 109.892 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -76.34 101.82 5.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.984 0.421 . . . . 0.0 110.742 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' ARG . . . . . 0.553 ' O ' ' O ' ' B' ' 10' ' ' ARG . 6.7 ttp180 -137.57 138.42 39.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.441 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' LYS . . . . . 0.588 ' C ' ' H ' ' B' ' 10' ' ' ARG . 0.1 OUTLIER 58.36 47.8 13.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.608 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.83 -15.22 0.12 Allowed Glycine 0 CA--C 1.527 0.8 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.588 ' H ' ' C ' ' B' ' 8' ' ' LYS . 0.1 OUTLIER -115.67 160.72 19.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.859 0.361 . . . . 0.0 110.452 179.804 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.46 ' N ' ' HG3' ' B' ' 10' ' ' ARG . 4.5 ptm180 -93.63 112.29 24.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 28.5 pt -89.02 135.04 26.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.798 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' CYS . . . . . 0.546 ' HA ' ' HA ' ' B' ' 4' ' ' CYS . 0.0 OUTLIER -113.13 149.71 33.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.093 0.473 . . . . 0.0 111.646 -177.927 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 5.2 mp -126.76 117.85 49.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.322 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.55 ' N ' ' CD ' ' B' ' 15' ' ' ARG . 0.0 OUTLIER -45.84 133.18 8.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.98 -179.791 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.654 ' O ' HG22 ' B' ' 16' ' ' ILE . 15.0 mm . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.506 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 1' ' ' ARG . . . . . 0.563 ' O ' ' O ' ' B' ' 16' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.153 0 CA-C-O 120.572 0.225 . . . . 0.0 110.701 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -109.1 135.27 48.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.402 -179.375 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 3' ' ' ARG . . . . . 0.627 ' O ' ' HA ' ' B' ' 13' ' ' CYS . 13.5 ttt-85 -98.62 131.51 44.75 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.204 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 4' ' ' CYS . . . . . 0.503 ' HA ' ' HA ' ' B' ' 13' ' ' CYS . 1.7 m -102.74 152.15 21.57 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 -178.079 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.742 HH21 HD11 ' B' ' 12' ' ' ILE . 12.4 ttp180 -140.99 129.35 22.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.619 -1.173 . . . . 0.0 109.907 179.351 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 41.9 tp60 -65.52 115.92 6.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.844 0.354 . . . . 0.0 110.721 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' ARG . . . . . 0.683 ' CZ ' HD13 ' B' ' 12' ' ' ILE . 9.4 ttm180 -144.34 115.1 7.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.444 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' LYS . . . . . 0.651 ' C ' ' H ' ' B' ' 10' ' ' ARG . 7.4 mttp 60.31 64.13 1.27 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 178.193 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 62.52 -22.88 0.07 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.321 -0.712 . . . . 0.0 111.321 177.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.651 ' H ' ' C ' ' B' ' 8' ' ' LYS . 4.2 mmt-85 -116.5 145.67 43.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.809 0.338 . . . . 0.0 110.439 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.486 ' HA ' ' O ' ' B' ' 5' ' ' ARG . 29.5 ptt180 -94.02 123.51 37.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.979 -179.181 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.742 HD11 HH21 ' B' ' 5' ' ' ARG . 14.9 pt -89.84 139.21 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.13 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' CYS . . . . . 0.627 ' HA ' ' O ' ' B' ' 3' ' ' ARG . 0.1 OUTLIER -114.21 149.3 36.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.121 0.486 . . . . 0.0 111.54 -177.943 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 14' ' ' ILE . . . . . 0.423 ' O ' HG12 ' B' ' 16' ' ' ILE . 0.9 OUTLIER -128.37 131.2 69.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.255 178.744 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.19 116.42 9.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.007 -178.568 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.563 ' O ' ' O ' ' B' ' 1' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.616 177.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 1' ' ' ARG . . . . . 0.481 ' CG ' HH11 ' B' ' 1' ' ' ARG . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.168 0 CA-C-O 120.652 0.263 . . . . 0.0 110.557 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.507 HG12 ' HA ' ' B' ' 15' ' ' ARG . 1.3 m -101.84 138.22 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 120.859 0.361 . . . . 0.0 111.372 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 3' ' ' ARG . . . . . 0.728 HH12 HD12 ' B' ' 14' ' ' ILE . 8.7 ttt-85 -94.26 113.86 25.85 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 4' ' ' CYS . . . . . 0.561 ' HA ' ' HA ' ' B' ' 13' ' ' CYS . 1.4 m -94.64 149.28 21.41 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -178.259 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.444 ' O ' ' HA ' ' B' ' 11' ' ' ARG . 0.0 OUTLIER -143.23 132.51 23.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.691 -1.14 . . . . 0.0 109.854 179.749 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 6' ' ' GLN . . . . . 0.588 ' NE2' ' C ' ' B' ' 6' ' ' GLN . 0.0 OUTLIER -67.11 119.75 12.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.964 0.411 . . . . 0.0 110.735 -179.792 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 7' ' ' ARG . . . . . 0.782 ' HE ' HG21 ' B' ' 12' ' ' ILE . 58.7 ttp85 -145.62 114.02 6.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.424 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' LYS . . . . . 0.631 ' C ' ' H ' ' B' ' 10' ' ' ARG . 22.6 mttm 58.33 62.55 1.96 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.937 178.44 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 62.71 -21.79 0.07 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.371 -0.692 . . . . 0.0 111.371 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.631 ' H ' ' C ' ' B' ' 8' ' ' LYS . 0.0 OUTLIER -113.11 142.27 45.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.835 0.35 . . . . 0.0 110.465 179.682 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.444 ' HA ' ' O ' ' B' ' 5' ' ' ARG . 10.1 ptm180 -92.7 121.93 34.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.941 -179.1 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.782 HG21 ' HE ' ' B' ' 7' ' ' ARG . 11.7 pt -89.81 137.92 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 178.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' CYS . . . . . 0.561 ' HA ' ' HA ' ' B' ' 4' ' ' CYS . 0.0 OUTLIER -112.98 149.95 32.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.12 0.486 . . . . 0.0 111.618 -177.812 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 14' ' ' ILE . . . . . 0.728 HD12 HH12 ' B' ' 3' ' ' ARG . 81.3 mt -124.14 115.99 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.313 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.507 ' HA ' HG12 ' B' ' 2' ' ' VAL . 0.0 OUTLIER -48.61 123.58 6.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.969 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.508 HG22 ' O ' ' B' ' 16' ' ' ILE . 5.4 mm . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.58 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 2.262 0 C3'-C2'-C1' 102.609 1.233 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ' G' . . . . . 0.463 " O2'" " H5'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.199 0 C1'-O4'-C4' 107.959 -1.824 . 0.974 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ' C' . . . . . 0.493 " O2'" " H5'" ' A' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.199 0 C1'-O4'-C4' 107.881 -1.91 . 0.963 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ' A' . . . . . 0.493 " H5'" " O2'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.271 0 C1'-O4'-C4' 108.046 -1.726 . 0.956 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ' G' . . . . . 0.76 ' P ' ' HE ' ' B' ' 3' ' ' ARG . . . . . . . . 0 O4'--C1' 1.441 2.232 0 C3'-C2'-C1' 103.057 1.73 . 0.974 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ' A' . . . . . 0.616 " H5'" " O2'" ' A' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.24 0 C3'-C2'-C1' 103.455 2.173 . 0.953 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ' U' . . . . . 1.009 " H4'" ' OP1' ' A' ' 26' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.559 3.218 0 O5'-C5'-C4' 111.943 1.245 . 0.762 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ' C' . . . . . 0.981 ' OP1' " H2'" ' A' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.428 -2.057 0 C3'-C2'-C1' 103.437 2.152 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ' U' . . . . . 0.981 " H2'" ' OP1' ' A' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.429 -2.03 0 C3'-C2'-C1' 104.645 3.494 . 0.115 5p . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ' G' . . . . . 1.009 ' OP1' " H4'" ' A' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.379 0 C1'-O4'-C4' 107.745 -2.061 . 0.201 6d . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ' A' . . . . . 0.732 ' OP2' H5'' ' A' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.446 0 C1'-O4'-C4' 107.09 -2.789 . 0.953 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ' G' . . . . . 0.605 " H5'" " O2'" ' A' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.407 0 C1'-O4'-C4' 107.456 -2.382 . 0.877 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ' C' . . . . . 0.585 " H5'" " O2'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.225 0 C1'-O4'-C4' 107.591 -2.232 . 0.921 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . 0.492 " O2'" " H5'" ' A' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.348 0 C1'-O4'-C4' 107.732 -2.076 . 0.961 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ' U' . . . . . 0.829 " O2'" " H5'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 C3'-C2'-C1' 103.49 2.211 . 0.982 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ' G' . . . . . 0.829 " H5'" " O2'" ' A' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.432 -1.779 0 O4'-C4'-C3' 107.571 1.479 . 0.922 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ' G' . . . . . 0.627 ' P ' " O2'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.067 0 C3'-C2'-C1' 103.312 2.013 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ' G' . . . . . 0.787 " O2'" " H5'" ' A' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.356 0 C3'-C2'-C1' 104.608 3.453 . 0.437 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ' A' . . . . . 0.787 " H5'" " O2'" ' A' ' 34' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.496 -2.543 0 C4'-C3'-C2' 106.585 3.885 . 0.072 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 2.296 0 C4'-C3'-C2' 101.305 -1.395 . 0.709 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ' C' . . . . . 0.404 " O2'" " H5'" ' A' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.442 2.332 0 C4'-C3'-C2' 100.928 -1.772 . 0.967 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ' U' . . . . . 0.476 " H2'" " O4'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.446 2.632 0 C4'-C3'-C2' 100.391 -2.309 . 0.943 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ' C' . . . . . 0.532 ' C2 ' ' C2 ' ' A' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.444 2.524 0 C1'-O4'-C4' 107.164 -2.707 . 0.908 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ' U' . . . . . 0.487 ' O2 ' ' C2 ' ' A' ' 26' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.441 2.237 0 O5'-C5'-C4' 112.919 1.942 . 0.933 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 2.273 0 C4'-C3'-C2' 100.771 -1.929 . 0.975 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.161 0 C4'-C3'-C2' 101.175 -1.525 . 0.984 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.186 0 C4'-C3'-C2' 100.981 -1.719 . 0.99 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ' C' . . . . . 0.482 " O2'" " H5'" ' A' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.343 0 C1'-O4'-C4' 107.953 -1.83 . 0.979 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ' C' . . . . . 0.482 " H5'" " O2'" ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.774 0 C3'-C2'-C1' 104.086 2.873 . 0.978 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 2.7 ptp85 . . . . . 0 CA--C 1.53 0.197 0 CA-C-O 120.556 0.217 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.462 HG21 ' H21' ' A' ' 34' ' ' ' G' . 0.0 OUTLIER -103.96 137.43 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.403 -179.738 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ARG . . . . . 0.76 ' HE ' ' P ' ' A' ' 21' ' ' ' G' . 0.0 OUTLIER -96.06 117.51 30.83 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.357 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 4' ' ' CYS . . . . . 0.571 ' HA ' ' HA ' ' B' ' 13' ' ' CYS . 1.3 m -96.28 152.98 18.07 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -177.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.419 ' HE ' HD11 ' B' ' 12' ' ' ILE . 6.6 ttp180 -144.82 141.42 29.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 113.535 -1.666 . . . . 0.0 109.852 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -77.14 105.58 8.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.898 0.38 . . . . 0.0 110.784 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ARG . . . . . 0.542 ' O ' ' O ' ' B' ' 10' ' ' ARG . 7.7 ttm180 -137.88 133.39 33.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.443 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LYS . . . . . 0.632 ' C ' ' H ' ' B' ' 10' ' ' ARG . 35.4 mmtt 56.96 51.73 10.22 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.475 ' N ' ' C5 ' ' A' ' 24' ' ' ' C' . . . 63.14 -20.37 0.08 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.783 HH11 ' N2 ' ' A' ' 32' ' ' ' G' . 3.4 tpp85 -108.96 159.83 16.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.793 0.33 . . . . 0.0 110.495 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.408 ' N ' ' HG3' ' B' ' 10' ' ' ARG . 10.5 ptm180 -95.0 114.11 25.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.952 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.419 HD11 ' HE ' ' B' ' 5' ' ' ARG . 2.2 pp -89.35 136.1 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' CYS . . . . . 0.571 ' HA ' ' HA ' ' B' ' 4' ' ' CYS . 0.1 OUTLIER -112.9 154.11 26.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.176 0.512 . . . . 0.0 111.64 -177.006 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 7.6 mt -125.34 118.99 54.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.355 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.476 ' CG ' ' O ' ' B' ' 15' ' ' ARG . 12.0 ptm180 -51.32 121.51 6.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.006 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.526 HG22 ' O ' ' B' ' 16' ' ' ILE . 5.5 mm -136.9 80.36 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.59 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' DPR . . . . . 0.524 ' C ' ' O ' ' B' ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo . . . . . 0 C--N 1.302 -1.879 0 C-N-CA 123.032 2.488 . . . . 0.0 112.032 179.348 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ' G' . . . . . 0.413 " O2'" " H5'" ' A' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.168 0 C3'-C2'-C1' 102.591 1.212 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ' G' . . . . . 0.499 " O2'" " H5'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.214 0 C1'-O4'-C4' 108.041 -1.733 . 0.975 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ' C' . . . . . 0.499 " H5'" " O2'" ' A' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.202 0 C1'-O4'-C4' 107.838 -1.958 . 0.97 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ' A' . . . . . 0.497 " H5'" " O2'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.272 0 C1'-O4'-C4' 108.064 -1.707 . 0.938 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ' G' . . . . . 0.64 " O2'" " H5'" ' A' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.441 2.226 0 C3'-C2'-C1' 103.097 1.775 . 0.966 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ' A' . . . . . 0.64 " H5'" " O2'" ' A' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.235 0 C3'-C2'-C1' 103.432 2.146 . 0.958 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ' U' . . . . . 1.009 " H4'" ' OP1' ' A' ' 26' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.556 2.87 0 O5'-C5'-C4' 111.941 1.244 . 0.725 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ' C' . . . . . 0.897 ' OP1' " H2'" ' A' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.145 0 C3'-C2'-C1' 103.43 2.144 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ' U' . . . . . 0.897 " H2'" ' OP1' ' A' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.13 0 C3'-C2'-C1' 104.63 3.478 . 0.18 5p . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ' G' . . . . . 1.009 ' OP1' " H4'" ' A' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.467 0 C1'-O4'-C4' 107.76 -2.044 . 0.172 6d . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ' A' . . . . . 0.765 ' OP2' H5'' ' A' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.496 0 C1'-O4'-C4' 107.146 -2.727 . 0.948 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ' G' . . . . . 0.676 " H5'" " O2'" ' A' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.472 0 C1'-O4'-C4' 107.513 -2.319 . 0.872 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ' C' . . . . . 0.591 " H5'" " O2'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.267 0 C1'-O4'-C4' 107.631 -2.188 . 0.92 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . 0.417 " H5'" " O2'" ' A' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.289 0 C1'-O4'-C4' 107.744 -2.062 . 0.965 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ' U' . . . . . 0.797 " O2'" " H5'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.523 0 C3'-C2'-C1' 103.487 2.208 . 0.988 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ' G' . . . . . 0.797 " H5'" " O2'" ' A' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.806 0 O4'-C4'-C3' 107.54 1.457 . 0.938 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ' G' . . . . . 0.663 ' P ' " O2'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.158 0 C3'-C2'-C1' 103.237 1.93 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ' G' . . . . . 0.809 " O2'" " H5'" ' A' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.4 0 C3'-C2'-C1' 104.662 3.513 . 0.866 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ' A' . . . . . 0.809 " H5'" " O2'" ' A' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -1.993 0 C3'-C2'-C1' 104.179 2.977 . 0.076 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 2.329 0 C4'-C3'-C2' 101.244 -1.456 . 0.716 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ' C' . . . . . 0.416 " O2'" " H5'" ' A' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.443 2.392 0 C1'-O4'-C4' 108.087 -1.681 . 0.927 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ' U' . . . . . 0.449 " H2'" " O4'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.446 2.638 0 C4'-C3'-C2' 100.792 -1.908 . 0.935 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ' C' . . . . . 0.505 " O2'" " H5'" ' A' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.443 2.446 0 C1'-O4'-C4' 107.192 -2.676 . 0.914 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ' U' . . . . . 0.505 " H5'" " O2'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.175 0 O5'-C5'-C4' 112.876 1.912 . 0.935 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.554 2.745 0 C4'-C3'-C2' 100.595 -2.105 . 0.97 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.167 0 C4'-C3'-C2' 100.904 -1.796 . 0.976 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.628 9.461 1 O4'-C4'-C3' 97.973 -5.377 . 0.929 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ' C' . . . . . 0.491 " O2'" " H5'" ' A' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.327 0 C1'-O4'-C4' 107.939 -1.846 . 0.972 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ' C' . . . . . 0.491 " H5'" " O2'" ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.715 0 C3'-C2'-C1' 104.06 2.845 . 0.972 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ARG . . . . . 0.417 HH11 ' HB3' ' B' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.146 0 CA-C-O 120.598 0.237 . . . . 0.0 110.586 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.602 ' CG1' HH21 ' B' ' 15' ' ' ARG . 0.2 OUTLIER -103.36 134.05 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-O 120.821 0.343 . . . . 0.0 111.37 -179.874 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ARG . . . . . 0.584 ' O ' ' HA ' ' B' ' 13' ' ' CYS . 0.8 OUTLIER -97.69 122.2 40.49 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.838 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 4' ' ' CYS . . . . . 0.551 ' HA ' ' HA ' ' B' ' 13' ' ' CYS . 4.5 m -97.53 151.43 20.04 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -177.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.595 ' NE ' ' OP2' ' A' ' 22' ' ' ' A' . 69.5 mtt180 -142.56 135.86 28.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.157 -1.383 . . . . 0.0 109.877 179.157 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 13.5 mp0 -70.73 115.44 9.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.956 0.408 . . . . 0.0 110.791 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ARG . . . . . 0.648 ' O ' ' O ' ' B' ' 10' ' ' ARG . 10.9 ttm180 -144.3 153.89 42.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.444 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' LYS . . . . . 0.487 ' C ' ' O ' ' B' ' 7' ' ' ARG . 55.1 mmtt 32.96 45.32 0.06 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.975 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 72.39 -20.55 0.97 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.321 -0.711 . . . . 0.0 111.321 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.648 ' O ' ' O ' ' B' ' 7' ' ' ARG . 11.2 mmp_? -109.04 150.53 27.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 110.431 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.502 ' O ' " O4'" ' A' ' 34' ' ' ' G' . 8.5 ptm180 -86.42 112.55 21.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.966 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 2.2 pp -88.27 133.8 29.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' CYS . . . . . 0.584 ' HA ' ' O ' ' B' ' 3' ' ' ARG . 0.0 OUTLIER -113.31 152.89 29.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.143 0.497 . . . . 0.0 111.587 -177.336 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ILE . . . . . 0.437 HG22 ' O ' ' B' ' 3' ' ' ARG . 1.4 tt -126.23 123.36 63.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.283 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.602 HH21 ' CG1' ' B' ' 2' ' ' VAL . 0.3 OUTLIER -61.02 133.53 56.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.967 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.528 ' O ' ' C ' ' B' ' 17' ' ' DPR . 0.3 OUTLIER -153.93 95.48 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.599 179.603 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 17' ' ' DPR . . . . . 0.528 ' C ' ' O ' ' B' ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' B' ' 16' ' ' ILE . 90.9 Cg_exo . . . . . 0 C--N 1.302 -1.9 0 C-N-CA 123.025 2.483 . . . . 0.0 112.016 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 2.211 0 C4'-C3'-C2' 101.377 -1.323 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ' G' . . . . . 0.409 " O2'" " H5'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.186 0 C1'-O4'-C4' 108.016 -1.76 . 0.977 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ' C' . . . . . 0.451 " O2'" " H5'" ' A' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.232 0 C1'-O4'-C4' 107.835 -1.961 . 0.975 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ' A' . . . . . 0.454 " O2'" " H5'" ' A' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.442 2.312 0 C1'-O4'-C4' 108.057 -1.715 . 0.966 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ' G' . . . . . 0.631 " O2'" " H5'" ' A' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.204 0 C1'-O4'-C4' 108.064 -1.706 . 0.972 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ' A' . . . . . 0.631 " H5'" " O2'" ' A' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.198 0 C3'-C2'-C1' 103.499 2.221 . 0.956 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ' U' . . . . . 0.905 " H4'" ' OP1' ' A' ' 26' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.087 0 C5'-C4'-C3' 113.296 -1.47 . 0.763 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ' C' . . . . . 0.718 ' OP1' " H2'" ' A' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.428 -2.11 0 C3'-C2'-C1' 103.345 2.05 . 0.01 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ' U' . . . . . 0.718 " H2'" ' OP1' ' A' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.428 -2.073 0 C3'-C2'-C1' 104.5 3.334 . 0.087 5p . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ' G' . . . . . 0.905 ' OP1' " H4'" ' A' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.395 0 C1'-O4'-C4' 107.764 -2.04 . 0.276 6d . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ' A' . . . . . 0.63 " O2'" " H5'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.519 0 C1'-O4'-C4' 107.158 -2.713 . 0.934 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ' G' . . . . . 0.63 " H5'" " O2'" ' A' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.563 0 C1'-O4'-C4' 107.574 -2.252 . 0.9 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ' C' . . . . . 0.602 " H5'" " O2'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.295 0 C1'-O4'-C4' 107.601 -2.222 . 0.924 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . 0.448 " H5'" " O2'" ' A' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.291 0 C1'-O4'-C4' 107.791 -2.01 . 0.951 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ' U' . . . . . 0.788 " O2'" " H5'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.52 0 C3'-C2'-C1' 103.49 2.211 . 0.987 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ' G' . . . . . 0.788 " H5'" " O2'" ' A' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.863 0 O4'-C4'-C3' 107.546 1.461 . 0.937 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ' G' . . . . . 0.664 ' P ' " O2'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.064 0 C3'-C2'-C1' 103.24 1.933 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ' G' . . . . . 0.735 " O2'" " H5'" ' A' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.376 0 C3'-C2'-C1' 104.712 3.569 . 0.832 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ' A' . . . . . 0.735 " H5'" " O2'" ' A' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.43 -1.913 0 C3'-C2'-C1' 104.13 2.923 . 0.04 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 2.283 0 C4'-C3'-C2' 100.904 -1.796 . 0.683 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ' C' . . . . . 0.533 ' N4 ' HH12 ' B' ' 7' ' ' ARG . . . . . . . . 0 O4'--C1' 1.441 2.29 0 C1'-O4'-C4' 108.138 -1.624 . 0.957 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ' U' . . . . . 0.41 " H2'" " O4'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.445 2.59 0 C4'-C3'-C2' 100.244 -2.456 . 0.937 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ' C' . . . . . 0.447 ' C2 ' ' C2 ' ' A' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.444 2.526 0 C1'-O4'-C4' 107.213 -2.652 . 0.925 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ' U' . . . . . 0.432 " H5'" " O2'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.231 0 O5'-C5'-C4' 112.907 1.934 . 0.934 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.549 2.256 0 C4'-C3'-C2' 100.824 -1.876 . 0.968 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.142 0 C4'-C3'-C2' 100.89 -1.81 . 0.981 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.107 0 C4'-C3'-C2' 100.776 -1.924 . 0.991 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ' C' . . . . . 0.464 " O2'" " H5'" ' A' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.226 0 C1'-O4'-C4' 107.954 -1.829 . 0.984 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ' C' . . . . . 0.464 " H5'" " O2'" ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.75 0 C3'-C2'-C1' 104.026 2.807 . 0.98 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ARG . . . . . 0.566 ' O ' ' O ' ' B' ' 16' ' ' ILE . 8.6 mtm180 . . . . . 0 CA--C 1.53 0.179 0 CA-C-O 120.603 0.24 . . . . 0.0 110.566 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.636 HG12 ' HE ' ' B' ' 15' ' ' ARG . 5.4 m -105.08 139.01 27.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.37 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ARG . . . . . 0.592 ' O ' ' HA ' ' B' ' 13' ' ' CYS . 2.8 ttt-85 -96.74 119.36 35.09 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' CYS . . . . . 0.524 ' HA ' ' HA ' ' B' ' 13' ' ' CYS . 9.0 m -96.86 150.52 20.64 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.855 0.836 . . . . 0.0 113.14 -178.208 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.564 ' NE ' ' OP2' ' A' ' 22' ' ' ' A' . 50.6 mtt180 -145.25 137.16 25.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.921 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -72.1 101.7 2.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.806 0.336 . . . . 0.0 110.796 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ARG . . . . . 0.533 HH12 ' N4 ' ' A' ' 37' ' ' ' C' . 12.1 ttm180 -134.61 129.55 35.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.379 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' LYS . . . . . 0.633 ' C ' ' H ' ' B' ' 10' ' ' ARG . 0.1 OUTLIER 60.33 54.62 3.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 178.894 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.3 -20.47 0.08 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 178.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.633 ' H ' ' C ' ' B' ' 8' ' ' LYS . 2.2 tpp180 -113.48 158.88 20.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.852 0.358 . . . . 0.0 110.451 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.449 ' N ' ' HG3' ' B' ' 10' ' ' ARG . 7.1 ptm180 -92.64 112.61 24.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.419 HD13 ' NH2' ' B' ' 7' ' ' ARG . 2.2 pp -90.94 137.43 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.128 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' CYS . . . . . 0.592 ' HA ' ' O ' ' B' ' 3' ' ' ARG . 0.0 OUTLIER -114.53 151.68 32.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.069 0.462 . . . . 0.0 111.614 -177.917 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 3.5 tt -126.95 126.27 68.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.272 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.636 ' HE ' HG12 ' B' ' 2' ' ' VAL . 11.0 tpp85 -52.35 114.78 1.46 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.019 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.566 ' O ' ' O ' ' B' ' 1' ' ' ARG . 9.4 mm -129.57 118.06 44.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.582 178.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 18' ' ' PRO . . . . . 0.46 ' O ' ' CG ' ' B' ' 1' ' ' ARG . 83.4 Cg_endo . . . . . 0 C--N 1.303 -1.847 0 C-N-CA 122.974 2.449 . . . . 0.0 112.015 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.198 0 C4'-C3'-C2' 101.45 -1.25 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ' G' . . . . . 0.448 " O2'" " H5'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.183 0 C1'-O4'-C4' 108.012 -1.765 . 0.974 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ' C' . . . . . 0.488 " O2'" " H5'" ' A' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.146 0 C1'-O4'-C4' 107.779 -2.023 . 0.968 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ' A' . . . . . 0.488 " H5'" " O2'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.442 2.309 0 C1'-O4'-C4' 108.066 -1.704 . 0.962 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ' G' . . . . . 0.684 " O2'" " H5'" ' A' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.271 0 C3'-C2'-C1' 103.005 1.672 . 0.98 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ' A' . . . . . 0.684 " H5'" " O2'" ' A' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.285 0 C3'-C2'-C1' 103.444 2.16 . 0.936 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ' U' . . . . . 1.005 " H4'" ' OP1' ' A' ' 26' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.549 2.301 0 O5'-C5'-C4' 112.053 1.323 . 0.773 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ' C' . . . . . 0.886 ' OP1' " H2'" ' A' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.135 0 C3'-C2'-C1' 103.37 2.077 . 0.01 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ' U' . . . . . 0.886 " H2'" ' OP1' ' A' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.428 -2.12 0 C3'-C2'-C1' 104.566 3.406 . 0.117 5p . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ' G' . . . . . 1.005 ' OP1' " H4'" ' A' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.349 0 C1'-O4'-C4' 107.702 -2.108 . 0.168 6d . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ' A' . . . . . 0.663 " O2'" " H5'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.335 0 C1'-O4'-C4' 107.127 -2.747 . 0.929 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ' G' . . . . . 0.663 " H5'" " O2'" ' A' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.562 0 C1'-O4'-C4' 107.556 -2.271 . 0.864 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ' C' . . . . . 0.643 ' H41' ' NH2' ' B' ' 7' ' ' ARG . . . . . . . . 0 O4'--C4' 1.427 -2.173 0 C1'-O4'-C4' 107.611 -2.21 . 0.93 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.297 0 C1'-O4'-C4' 107.733 -2.074 . 0.973 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ' U' . . . . . 0.826 " O2'" " H5'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.522 0 C3'-C2'-C1' 103.426 2.14 . 0.985 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ' G' . . . . . 0.826 " H5'" " O2'" ' A' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.816 0 O4'-C4'-C3' 107.684 1.56 . 0.925 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ' G' . . . . . 0.632 ' P ' " O2'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.063 0 C3'-C2'-C1' 103.291 1.99 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ' G' . . . . . 0.757 " O2'" " H5'" ' A' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.346 0 C3'-C2'-C1' 104.633 3.481 . 0.402 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ' A' . . . . . 0.757 " H5'" " O2'" ' A' ' 34' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.498 -2.319 1 C4'-C3'-C2' 106.845 4.145 . 0.07 2[ . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ' G' . . . . . 0.512 ' N7 ' ' OP1' ' A' ' 35' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.552 2.516 0 C4'-C3'-C2' 100.968 -1.732 . 0.655 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ' C' . . . . . 0.41 " O2'" " H5'" ' A' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.443 2.379 0 C4'-C3'-C2' 101.004 -1.696 . 0.951 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ' U' . . . . . 0.496 " H2'" " O4'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.445 2.619 0 C4'-C3'-C2' 100.579 -2.121 . 0.949 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ' C' . . . . . 0.587 ' C2 ' ' C2 ' ' A' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.445 2.611 0 C1'-O4'-C4' 107.2 -2.667 . 0.915 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ' U' . . . . . 0.54 " H5'" " O2'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.208 0 O5'-C5'-C4' 112.919 1.942 . 0.937 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.158 0 C4'-C3'-C2' 100.904 -1.796 . 0.978 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.254 0 C4'-C3'-C2' 101.179 -1.521 . 0.986 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.095 0 C4'-C3'-C2' 101.053 -1.647 . 0.99 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ' C' . . . . . 0.469 " O2'" " H5'" ' A' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.213 0 C1'-O4'-C4' 107.94 -1.844 . 0.982 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ' C' . . . . . 0.469 " H5'" " O2'" ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.724 0 C3'-C2'-C1' 104.1 2.889 . 0.977 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ARG . . . . . 0.406 ' N ' ' C ' ' B' ' 17' ' ' DPR . 2.2 mmm-85 . . . . . 0 CA--C 1.529 0.166 0 CA-C-O 120.571 0.224 . . . . 0.0 110.576 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.46 ' HB ' ' SG ' ' B' ' 13' ' ' CYS . 0.1 OUTLIER -102.77 136.8 33.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.362 -179.583 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ARG . . . . . 0.768 ' NH2' HH21 ' B' ' 5' ' ' ARG . 3.3 ttm180 -96.19 115.45 27.45 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.006 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' CYS . . . . . 0.506 ' HA ' ' O ' ' B' ' 12' ' ' ILE . 0.8 OUTLIER -100.88 150.63 22.64 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 -177.676 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.768 HH21 ' NH2' ' B' ' 3' ' ' ARG . 10.6 mtt180 -140.56 136.06 32.46 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 113.893 -1.503 . . . . 0.0 109.859 178.054 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.834 HE22 ' P ' ' A' ' 23' ' ' ' U' . 1.3 pm0 -70.2 120.0 15.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.947 0.403 . . . . 0.0 110.791 179.388 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ARG . . . . . 0.643 ' NH2' ' H41' ' A' ' 29' ' ' ' C' . 35.4 ttp180 -145.34 122.77 11.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.423 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' LYS . . . . . 0.57 ' C ' ' H ' ' B' ' 10' ' ' ARG . 14.0 mttp 50.58 55.7 9.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.966 178.691 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.664 ' N ' ' C5 ' ' A' ' 24' ' ' ' C' . . . 66.65 -20.55 0.19 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.276 -0.73 . . . . 0.0 111.276 178.674 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.57 ' H ' ' C ' ' B' ' 8' ' ' LYS . 4.9 mmp_? -108.39 142.69 38.37 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.434 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.403 ' O ' " O4'" ' A' ' 34' ' ' ' G' . 3.9 ptm180 -91.63 119.61 31.67 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.506 ' O ' ' HA ' ' B' ' 4' ' ' CYS . 10.4 pt -86.78 132.66 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 178.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' CYS . . . . . 0.484 ' HA ' ' HA ' ' B' ' 4' ' ' CYS . 0.5 OUTLIER -112.6 148.66 34.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.122 0.487 . . . . 0.0 111.586 -177.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ILE . . . . . 0.425 HG13 ' NH2' ' B' ' 5' ' ' ARG . 44.2 mm -124.1 113.2 35.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.313 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.58 125.77 19.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.005 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.69 HD12 ' HB2' ' B' ' 3' ' ' ARG . 63.5 mt -146.09 87.42 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.553 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' DPR . . . . . 0.547 ' C ' ' O ' ' B' ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' PRO . . . . . 0.424 ' N ' ' O ' ' B' ' 16' ' ' ILE . 93.2 Cg_exo . . . . . 0 C--N 1.302 -1.872 0 C-N-CA 123.017 2.478 . . . . 0.0 112.019 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ' G' . . . . . 0.44 " O2'" " H5'" ' A' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.121 0 C3'-C2'-C1' 102.698 1.331 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ' G' . . . . . 0.513 " O2'" " H5'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.242 0 C1'-O4'-C4' 108.011 -1.766 . 0.975 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ' C' . . . . . 0.539 " O2'" " H5'" ' A' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.22 0 C1'-O4'-C4' 107.855 -1.939 . 0.966 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ' A' . . . . . 0.539 " H5'" " O2'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.443 2.378 0 C1'-O4'-C4' 108.131 -1.632 . 0.943 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ' G' . . . . . 0.635 " O2'" " H5'" ' A' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.206 0 C3'-C2'-C1' 103.06 1.733 . 0.967 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ' A' . . . . . 0.635 " H5'" " O2'" ' A' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.205 0 C3'-C2'-C1' 103.46 2.177 . 0.956 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ' U' . . . . . 0.936 " H4'" ' OP1' ' A' ' 26' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.555 2.824 0 C5'-C4'-C3' 113.585 -1.276 . 0.722 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ' C' . . . . . 0.676 H5'' ' OP2' ' A' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.263 0 C3'-C2'-C1' 103.375 2.084 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ' U' . . . . . 0.67 " H3'" ' OP1' ' A' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.428 -2.098 0 C3'-C2'-C1' 104.592 3.436 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ' G' . . . . . 0.936 ' OP1' " H4'" ' A' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.329 0 C1'-O4'-C4' 107.721 -2.088 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ' A' . . . . . 0.676 ' OP2' H5'' ' A' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.422 0 C1'-O4'-C4' 107.106 -2.771 . 0.931 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ' G' . . . . . 0.562 " H5'" " O2'" ' A' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.565 0 C1'-O4'-C4' 107.623 -2.196 . 0.913 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ' C' . . . . . 0.684 ' H41' ' NH1' ' B' ' 7' ' ' ARG . . . . . . . . 0 O4'--C4' 1.426 -2.217 0 C1'-O4'-C4' 107.573 -2.252 . 0.93 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . 0.492 " O2'" " H5'" ' A' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.341 0 C1'-O4'-C4' 107.755 -2.05 . 0.965 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ' U' . . . . . 0.775 " O2'" " H5'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.504 0 C3'-C2'-C1' 103.505 2.228 . 0.979 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ' G' . . . . . 0.775 " H5'" " O2'" ' A' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.817 0 C3'-C2'-C1' 102.767 1.408 . 0.91 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ' G' . . . . . 0.722 ' P ' " O2'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.046 1 C4'-C3'-C2' 106.829 4.129 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ' G' . . . . . 0.722 " O2'" " H5'" ' A' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.375 0 C3'-C2'-C1' 104.606 3.451 . 0.01 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ' A' . . . . . 0.722 " H5'" " O2'" ' A' ' 34' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.49 -3.135 0 C4'-C3'-C2' 106.438 3.738 . 0.036 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.549 2.272 0 C4'-C3'-C2' 100.932 -1.768 . 0.625 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ' C' . . . . . 0.411 " O2'" " H5'" ' A' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.443 2.426 0 C1'-O4'-C4' 108.155 -1.606 . 0.965 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ' U' . . . . . 0.411 " H5'" " O2'" ' A' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.445 2.602 0 C4'-C3'-C2' 100.418 -2.282 . 0.946 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ' C' . . . . . 0.585 ' C2 ' ' C2 ' ' A' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.444 2.481 0 C1'-O4'-C4' 107.202 -2.665 . 0.921 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ' U' . . . . . 0.404 " H5'" " O2'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.26 0 O5'-C5'-C4' 112.851 1.894 . 0.932 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.165 0 C4'-C3'-C2' 100.929 -1.771 . 0.974 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.138 0 C3'-C2'-C1' 102.82 1.467 . 0.986 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.601 7.045 1 O4'-C4'-C3' 99.323 -4.412 . 0.964 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ' C' . . . . . 0.492 " O2'" " H5'" ' A' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.274 0 C1'-O4'-C4' 107.988 -1.791 . 0.973 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ' C' . . . . . 0.492 " H5'" " O2'" ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.71 0 C3'-C2'-C1' 104.093 2.881 . 0.976 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' B' ' 1' ' ' ARG . 1.9 tpt180 . . . . . 0 CA--C 1.529 0.137 0 CA-C-O 120.594 0.235 . . . . 0.0 110.665 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.506 HG12 ' HA ' ' B' ' 15' ' ' ARG . 2.1 m -103.01 137.74 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 111.333 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ARG . . . . . 0.64 ' HB2' HD12 ' B' ' 16' ' ' ILE . 0.0 OUTLIER -96.0 116.08 28.4 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 179.232 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 4' ' ' CYS . . . . . 0.592 ' SG ' ' NH1' ' B' ' 11' ' ' ARG . 1.6 m -94.67 150.84 19.81 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -177.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.561 ' N ' HH21 ' B' ' 3' ' ' ARG . 8.1 ttp180 -143.15 130.7 21.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.453 -1.249 . . . . 0.0 109.894 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.694 ' CD ' ' H ' ' B' ' 6' ' ' GLN . 0.0 OUTLIER -63.73 122.61 16.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.923 0.392 . . . . 0.0 110.807 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ARG . . . . . 0.684 ' NH1' ' H41' ' A' ' 29' ' ' ' C' . 2.7 ttp180 -144.71 105.93 4.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.409 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' LYS . . . . . 0.642 ' C ' ' H ' ' B' ' 10' ' ' ARG . 9.9 mttp 58.61 68.12 0.86 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 178.146 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.562 ' N ' ' C5 ' ' A' ' 24' ' ' ' C' . . . 62.38 -23.07 0.07 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 178.351 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.642 ' H ' ' C ' ' B' ' 8' ' ' LYS . 0.0 OUTLIER -115.19 139.58 49.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.803 0.335 . . . . 0.0 110.463 179.729 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.592 ' NH1' ' SG ' ' B' ' 4' ' ' CYS . 32.0 ptt85 -93.86 125.97 38.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.926 -178.513 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.412 ' O ' ' NH2' ' B' ' 3' ' ' ARG . 28.8 pt -91.0 139.45 17.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 178.269 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' CYS . . . . . 0.574 ' HA ' ' HA ' ' B' ' 4' ' ' CYS . 0.0 OUTLIER -112.88 152.3 29.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.071 0.462 . . . . 0.0 111.591 -177.436 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ILE . . . . . 0.5 HD12 ' NH1' ' B' ' 3' ' ' ARG . 46.3 mt -124.31 115.75 45.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.224 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.506 ' HA ' HG12 ' B' ' 2' ' ' VAL . 42.5 ttp180 -53.3 127.42 24.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.035 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.64 HD12 ' HB2' ' B' ' 3' ' ' ARG . 67.3 mt -145.66 89.68 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.596 179.692 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' DPR . . . . . 0.539 ' C ' ' O ' ' B' ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' PRO . . . . . 0.418 ' N ' ' O ' ' B' ' 16' ' ' ILE . 87.4 Cg_exo . . . . . 0 C--N 1.303 -1.868 0 C-N-CA 122.988 2.459 . . . . 0.0 112.085 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 2.228 0 C3'-C2'-C1' 102.716 1.351 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ' G' . . . . . 0.445 " O2'" " H5'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.244 0 C1'-O4'-C4' 107.994 -1.785 . 0.977 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ' C' . . . . . 0.503 " O2'" " H5'" ' A' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.238 0 C1'-O4'-C4' 107.831 -1.965 . 0.968 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ' A' . . . . . 0.503 " H5'" " O2'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.442 2.349 0 C1'-O4'-C4' 108.02 -1.755 . 0.956 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ' G' . . . . . 0.618 " O2'" " H5'" ' A' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.202 0 C1'-O4'-C4' 108.035 -1.739 . 0.974 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ' A' . . . . . 0.65 ' N7 ' ' NH1' ' B' ' 5' ' ' ARG . . . . . . . . 0 O4'--C4' 1.425 -2.311 0 C3'-C2'-C1' 103.476 2.196 . 0.953 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ' U' . . . . . 1.027 " H4'" ' OP1' ' A' ' 26' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.012 0 O4'-C4'-C3' 107.356 1.326 . 0.702 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ' C' . . . . . 0.919 ' OP1' H5'' ' A' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.426 -2.234 0 C3'-C2'-C1' 103.43 2.144 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ' U' . . . . . 0.919 H5'' ' OP1' ' A' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.152 0 C3'-C2'-C1' 104.615 3.461 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ' G' . . . . . 1.027 ' OP1' " H4'" ' A' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.475 0 C1'-O4'-C4' 107.696 -2.116 . 0.428 6d . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ' A' . . . . . 0.681 ' OP2' H5'' ' A' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.466 0 C1'-O4'-C4' 107.096 -2.782 . 0.935 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ' G' . . . . . 0.615 " H5'" " O2'" ' A' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.502 0 C1'-O4'-C4' 107.606 -2.216 . 0.879 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ' C' . . . . . 0.556 " H5'" " O2'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.211 0 C1'-O4'-C4' 107.541 -2.287 . 0.932 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . 0.445 " O2'" " H5'" ' A' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.426 -2.218 0 C1'-O4'-C4' 107.736 -2.071 . 0.969 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ' U' . . . . . 0.847 " O2'" " H5'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.521 0 C3'-C2'-C1' 103.543 2.27 . 0.983 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ' G' . . . . . 0.847 " H5'" " O2'" ' A' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.874 0 O4'-C4'-C3' 107.705 1.575 . 0.914 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ' G' . . . . . 0.597 ' P ' " O2'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.094 0 C3'-C2'-C1' 103.28 1.978 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ' G' . . . . . 0.764 " O2'" " H5'" ' A' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.373 0 C3'-C2'-C1' 104.675 3.528 . 0.432 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ' A' . . . . . 0.764 " H5'" " O2'" ' A' ' 34' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.491 -3.009 0 C4'-C3'-C2' 106.362 3.662 . 0.047 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.443 2.376 0 C4'-C3'-C2' 101.243 -1.457 . 0.686 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 2.358 0 C4'-C3'-C2' 100.977 -1.723 . 0.978 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ' U' . . . . . 0.498 " H2'" " O4'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.445 2.612 0 C4'-C3'-C2' 100.544 -2.156 . 0.947 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ' C' . . . . . 0.528 ' C2 ' ' C2 ' ' A' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.445 2.584 0 C1'-O4'-C4' 107.177 -2.692 . 0.902 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ' U' . . . . . 0.495 " H5'" " O2'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.24 0 O5'-C5'-C4' 112.922 1.944 . 0.927 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.549 2.282 0 C4'-C3'-C2' 100.773 -1.927 . 0.974 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.125 0 C4'-C3'-C2' 101.065 -1.635 . 0.983 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.167 0 C4'-C3'-C2' 100.901 -1.799 . 0.989 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ' C' . . . . . 0.455 " O2'" " H5'" ' A' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.214 0 C1'-O4'-C4' 107.885 -1.906 . 0.982 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ' C' . . . . . 0.455 " H5'" " O2'" ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.709 0 C3'-C2'-C1' 104.074 2.859 . 0.981 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 17.3 ttp85 . . . . . 0 CA--C 1.53 0.178 0 CA-C-O 120.516 0.198 . . . . 0.0 110.642 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.492 HG12 ' HA ' ' B' ' 15' ' ' ARG . 0.9 OUTLIER -103.21 138.64 26.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 120.815 0.341 . . . . 0.0 111.355 -179.727 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ARG . . . . . 0.516 ' CD ' ' OP1' ' A' ' 21' ' ' ' G' . 4.3 ttt-85 -94.88 112.26 23.99 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.606 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' CYS . . . . . 0.568 ' HA ' ' HA ' ' B' ' 13' ' ' CYS . 1.3 m -92.48 147.97 22.47 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 121.65 0.738 . . . . 0.0 112.909 -178.41 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.65 ' NH1' ' N7 ' ' A' ' 22' ' ' ' A' . 1.9 ttm180 -142.38 133.54 26.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.879 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 20.8 tm0? -65.86 117.46 8.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.926 0.393 . . . . 0.0 110.748 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ARG . . . . . 0.687 ' CZ ' HD13 ' B' ' 12' ' ' ILE . 16.3 ttm180 -144.96 114.72 7.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.43 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' LYS . . . . . 0.631 ' C ' ' H ' ' B' ' 10' ' ' ARG . 14.2 mttm 59.87 62.49 1.67 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 178.399 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.576 ' N ' ' C5 ' ' A' ' 24' ' ' ' C' . . . 63.08 -22.59 0.08 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 178.233 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.725 HH11 ' N2 ' ' A' ' 32' ' ' ' G' . 7.0 tpp85 -115.22 145.61 42.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.812 0.339 . . . . 0.0 110.412 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.47 ' HA ' ' O ' ' B' ' 5' ' ' ARG . 26.2 ptt180 -92.4 123.18 35.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.004 -178.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.687 HD13 ' CZ ' ' B' ' 7' ' ' ARG . 5.4 pt -89.92 138.91 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 178.545 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' CYS . . . . . 0.568 ' HA ' ' HA ' ' B' ' 4' ' ' CYS . 0.1 OUTLIER -111.23 146.35 37.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.164 0.507 . . . . 0.0 111.549 -177.275 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ILE . . . . . 0.419 HG13 HH12 ' B' ' 3' ' ' ARG . 46.8 mm -120.54 115.18 46.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.34 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.492 ' HA ' HG12 ' B' ' 2' ' ' VAL . 3.3 ptm85 -47.52 124.5 7.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.998 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.559 HG22 ' O ' ' B' ' 16' ' ' ILE . 5.5 mm -141.25 83.21 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.561 179.561 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' DPR . . . . . 0.534 ' C ' ' O ' ' B' ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo . . . . . 0 C--N 1.303 -1.819 0 C-N-CA 122.987 2.458 . . . . 0.0 112.045 179.719 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.182 0 C4'-C3'-C2' 101.481 -1.219 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ' G' . . . . . 0.463 " O2'" " H5'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.24 0 C1'-O4'-C4' 108.03 -1.744 . 0.975 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ' C' . . . . . 0.507 " O2'" " H5'" ' A' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.211 0 C1'-O4'-C4' 107.76 -2.044 . 0.965 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ' A' . . . . . 0.507 " H5'" " O2'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.442 2.354 0 C1'-O4'-C4' 108.091 -1.677 . 0.954 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ' G' . . . . . 0.623 " O2'" " H5'" ' A' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.441 2.251 0 C1'-O4'-C4' 108.046 -1.727 . 0.968 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ' A' . . . . . 0.654 ' N7 ' ' NH1' ' B' ' 5' ' ' ARG . . . . . . . . 0 O4'--C4' 1.427 -2.165 0 C3'-C2'-C1' 103.446 2.162 . 0.956 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ' U' . . . . . 1.054 " H4'" ' OP1' ' A' ' 26' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.554 2.757 0 O5'-C5'-C4' 111.996 1.283 . 0.753 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ' C' . . . . . 0.986 ' OP1' " H2'" ' A' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.151 0 C3'-C2'-C1' 103.369 2.077 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ' U' . . . . . 0.986 " H2'" ' OP1' ' A' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.428 -2.104 0 C3'-C2'-C1' 104.605 3.45 . 0.082 5p . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ' G' . . . . . 1.054 ' OP1' " H4'" ' A' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.366 0 C1'-O4'-C4' 107.742 -2.065 . 0.126 6d . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ' A' . . . . . 0.702 ' OP2' H5'' ' A' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.517 0 C1'-O4'-C4' 107.2 -2.667 . 0.95 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ' G' . . . . . 0.671 " H5'" " O2'" ' A' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 C1'-O4'-C4' 107.577 -2.248 . 0.886 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ' C' . . . . . 0.647 " H5'" " O2'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.268 0 C1'-O4'-C4' 107.645 -2.172 . 0.909 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . 0.412 " H5'" " O2'" ' A' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.241 0 C1'-O4'-C4' 107.722 -2.086 . 0.956 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ' U' . . . . . 0.808 " O2'" " H5'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.577 0 C3'-C2'-C1' 103.508 2.232 . 0.987 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ' G' . . . . . 0.808 " H5'" " O2'" ' A' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.432 -1.76 0 O4'-C4'-C3' 107.57 1.479 . 0.936 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ' G' . . . . . 0.649 ' P ' " O2'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.134 0 C3'-C2'-C1' 103.256 1.952 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ' G' . . . . . 0.538 " H2'" ' N7 ' ' A' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.426 0 C3'-C2'-C1' 104.714 3.572 . 0.79 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ' A' . . . . . 0.538 ' N7 ' " H2'" ' A' ' 34' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.501 -2.053 0 C4'-C3'-C2' 105.883 3.183 . 0.039 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.55 2.395 0 C4'-C3'-C2' 100.961 -1.739 . 0.689 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ' C' . . . . . 0.685 ' N4 ' HH12 ' B' ' 7' ' ' ARG . . . . . . . . 0 O4'--C1' 1.444 2.46 0 C4'-C3'-C2' 100.907 -1.793 . 0.938 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ' U' . . . . . 0.45 " H2'" " O4'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.445 2.587 0 C4'-C3'-C2' 100.141 -2.559 . 0.953 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ' C' . . . . . 0.589 ' C2 ' ' C2 ' ' A' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.445 2.562 0 C1'-O4'-C4' 107.196 -2.671 . 0.919 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ' U' . . . . . 0.53 ' O2 ' ' C2 ' ' A' ' 26' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.441 2.252 0 O5'-C5'-C4' 112.855 1.896 . 0.932 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.547 2.132 0 C4'-C3'-C2' 100.783 -1.917 . 0.972 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.193 0 C4'-C3'-C2' 101.012 -1.688 . 0.983 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.181 0 C4'-C3'-C2' 101.171 -1.529 . 0.989 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ' C' . . . . . 0.499 " O2'" " H5'" ' A' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.316 0 C1'-O4'-C4' 107.996 -1.782 . 0.98 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ' C' . . . . . 0.499 " H5'" " O2'" ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.816 0 C3'-C2'-C1' 104.108 2.898 . 0.975 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ARG . . . . . 0.578 ' O ' ' O ' ' B' ' 16' ' ' ILE . 21.7 ttp85 . . . . . 0 CA--C 1.531 0.214 0 CA-C-O 120.54 0.209 . . . . 0.0 110.606 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.658 HG12 ' HA ' ' B' ' 15' ' ' ARG . 15.7 m -125.51 136.09 61.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.387 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ARG . . . . . 0.434 ' O ' ' HA ' ' B' ' 13' ' ' CYS . 4.9 ttt85 -98.4 132.28 43.99 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 177.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' CYS . . . . . 0.7 ' HA ' ' O ' ' B' ' 12' ' ' ILE . 23.2 m -105.34 146.07 29.89 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 122.104 0.954 . . . . 0.0 113.513 -177.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.654 ' NH1' ' N7 ' ' A' ' 22' ' ' ' A' . 1.7 ttm180 -135.84 137.47 41.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.33 -1.304 . . . . 0.0 109.835 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -70.35 121.54 17.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.883 0.373 . . . . 0.0 110.78 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ARG . . . . . 0.685 HH12 ' N4 ' ' A' ' 37' ' ' ' C' . 0.0 OUTLIER -143.48 138.04 28.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.466 179.846 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 8' ' ' LYS . . . . . 0.487 ' HZ3' ' HG2' ' B' ' 7' ' ' ARG . 20.5 mmtm 36.65 45.12 0.37 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.433 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 77.03 -21.24 2.72 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.604 ' N ' ' O ' ' B' ' 7' ' ' ARG . 0.0 OUTLIER -104.09 139.8 38.67 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.462 179.777 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.451 ' CG ' ' O ' ' B' ' 11' ' ' ARG . 7.3 ptm180 -88.6 118.59 28.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.958 -179.619 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.7 ' O ' ' HA ' ' B' ' 4' ' ' CYS . 16.2 pt -86.41 130.77 36.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' CYS . . . . . 0.483 ' HA ' ' HA ' ' B' ' 4' ' ' CYS . 74.7 m -111.86 100.71 9.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.139 0.495 . . . . 0.0 111.583 -178.576 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ILE . . . . . 0.446 ' O ' HG13 ' B' ' 16' ' ' ILE . 36.2 mt -81.78 127.15 39.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.273 -178.372 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.658 ' HA ' HG12 ' B' ' 2' ' ' VAL . 6.2 tpt180 -69.38 115.42 8.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.933 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.751 ' O ' HD12 ' B' ' 16' ' ' ILE . 1.6 pp -141.73 158.18 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.586 179.327 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' DPR . . . . . 0.612 ' O ' ' NH2' ' B' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo . . . . . 0 C--N 1.304 -1.811 0 C-N-CA 123.035 2.49 . . . . 0.0 112.049 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.191 0 C3'-C2'-C1' 102.602 1.224 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ' G' . . . . . 0.474 " O2'" " H5'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.199 0 C1'-O4'-C4' 108.025 -1.75 . 0.975 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ' C' . . . . . 0.501 " O2'" " H5'" ' A' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.216 0 C1'-O4'-C4' 107.843 -1.953 . 0.964 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ' A' . . . . . 0.501 " H5'" " O2'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.442 2.335 0 C1'-O4'-C4' 107.999 -1.779 . 0.956 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ' G' . . . . . 0.6 " O2'" " H5'" ' A' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.228 0 C3'-C2'-C1' 103.065 1.739 . 0.982 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ' A' . . . . . 0.614 ' OP2' ' NE ' ' B' ' 5' ' ' ARG . . . . . . . . 0 O4'--C4' 1.427 -2.206 0 C3'-C2'-C1' 103.416 2.129 . 0.965 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ' U' . . . . . 0.996 " H4'" ' OP1' ' A' ' 26' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.557 3.028 0 O5'-C5'-C4' 111.963 1.259 . 0.697 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ' C' . . . . . 0.885 ' OP1' " H2'" ' A' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.428 -2.105 0 C3'-C2'-C1' 103.342 2.046 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ' U' . . . . . 0.885 " H2'" ' OP1' ' A' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.429 -2.037 0 C3'-C2'-C1' 104.598 3.443 . 0.129 5p . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ' G' . . . . . 0.996 ' OP1' " H4'" ' A' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.418 0 C1'-O4'-C4' 107.78 -2.022 . 0.123 6d . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ' A' . . . . . 0.67 " O2'" " H5'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.386 0 C1'-O4'-C4' 107.058 -2.825 . 0.928 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ' G' . . . . . 0.676 ' C8 ' ' NZ ' ' B' ' 8' ' ' LYS . . . . . . . . 0 O4'--C4' 1.422 -2.594 0 C1'-O4'-C4' 107.63 -2.189 . 0.871 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ' C' . . . . . 0.639 " H5'" " O2'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.384 0 C1'-O4'-C4' 107.652 -2.164 . 0.912 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . 0.421 " H5'" " O2'" ' A' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.178 0 C1'-O4'-C4' 107.694 -2.118 . 0.95 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ' U' . . . . . 0.811 " O2'" " H5'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.561 0 C3'-C2'-C1' 103.549 2.277 . 0.988 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ' G' . . . . . 0.811 " H5'" " O2'" ' A' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.432 -1.77 0 O4'-C4'-C3' 107.512 1.437 . 0.935 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ' G' . . . . . 0.645 ' P ' " O2'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.075 0 C3'-C2'-C1' 103.246 1.94 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ' G' . . . . . 0.716 " O2'" " H5'" ' A' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.448 0 C3'-C2'-C1' 104.634 3.483 . 0.831 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ' A' . . . . . 0.716 " H5'" " O2'" ' A' ' 34' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 1.964 0 C3'-C2'-C1' 104.142 2.935 . 0.058 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 2.335 0 C4'-C3'-C2' 100.987 -1.713 . 0.724 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ' C' . . . . . 0.414 " O2'" " H5'" ' A' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.444 2.459 0 C4'-C3'-C2' 100.978 -1.722 . 0.973 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ' U' . . . . . 0.492 " H2'" " O4'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.445 2.544 0 C4'-C3'-C2' 100.342 -2.358 . 0.938 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ' C' . . . . . 0.6 ' C2 ' ' C2 ' ' A' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.443 2.446 0 C1'-O4'-C4' 107.157 -2.714 . 0.911 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ' U' . . . . . 0.524 " H5'" " O2'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.286 0 O5'-C5'-C4' 112.973 1.98 . 0.934 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 2.247 0 C4'-C3'-C2' 100.848 -1.852 . 0.97 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.218 0 C4'-C3'-C2' 101.159 -1.541 . 0.984 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.162 0 C4'-C3'-C2' 100.937 -1.763 . 0.986 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ' C' . . . . . 0.466 " O2'" " H5'" ' A' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.334 0 C1'-O4'-C4' 107.945 -1.839 . 0.98 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ' C' . . . . . 0.466 " H5'" " O2'" ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.646 0 C3'-C2'-C1' 104.041 2.823 . 0.977 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' B' ' 16' ' ' ILE . 5.6 ttm-85 . . . . . 0 CA--C 1.529 0.154 0 CA-C-O 120.577 0.227 . . . . 0.0 110.663 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.499 HG21 ' H21' ' A' ' 34' ' ' ' G' . 0.8 OUTLIER -104.67 138.37 29.72 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 120.793 0.33 . . . . 0.0 111.385 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ARG . . . . . 0.749 HH21 ' NH2' ' B' ' 5' ' ' ARG . 18.9 ttp-105 -95.53 114.9 26.71 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' CYS . . . . . 0.546 ' HA ' ' HA ' ' B' ' 13' ' ' CYS . 1.3 m -95.68 150.53 20.27 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 122.457 1.122 . . . . 0.0 113.819 -178.173 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.749 ' NH2' HH21 ' B' ' 3' ' ' ARG . 93.4 mtt180 -143.8 137.36 27.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.009 -1.45 . . . . 0.0 109.892 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -76.34 101.82 5.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.984 0.421 . . . . 0.0 110.742 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ARG . . . . . 0.553 ' O ' ' O ' ' B' ' 10' ' ' ARG . 6.7 ttp180 -137.57 138.42 39.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.441 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' LYS . . . . . 0.676 ' NZ ' ' C8 ' ' A' ' 28' ' ' ' G' . 0.1 OUTLIER 58.36 47.8 13.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.608 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.83 -15.22 0.12 Allowed Glycine 0 CA--C 1.527 0.8 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.588 ' H ' ' C ' ' B' ' 8' ' ' LYS . 0.1 OUTLIER -115.67 160.72 19.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.859 0.361 . . . . 0.0 110.452 179.804 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.46 ' N ' ' HG3' ' B' ' 10' ' ' ARG . 4.5 ptm180 -93.63 112.29 24.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 28.5 pt -89.02 135.04 26.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.798 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' CYS . . . . . 0.546 ' HA ' ' HA ' ' B' ' 4' ' ' CYS . 0.0 OUTLIER -113.13 149.71 33.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.093 0.473 . . . . 0.0 111.646 -177.927 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 5.2 mp -126.76 117.85 49.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.322 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.55 ' CD ' ' N ' ' B' ' 15' ' ' ARG . 0.0 OUTLIER -45.84 133.18 8.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.98 -179.791 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.654 HG22 ' O ' ' B' ' 16' ' ' ILE . 15.0 mm -149.64 83.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.506 179.426 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' DPR . . . . . 0.53 ' C ' ' O ' ' B' ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo . . . . . 0 C--N 1.303 -1.861 0 C-N-CA 123.044 2.496 . . . . 0.0 111.984 179.717 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.087 0 C3'-C2'-C1' 102.654 1.282 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ' G' . . . . . 0.451 " O2'" " H5'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.216 0 C1'-O4'-C4' 108.095 -1.673 . 0.979 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ' C' . . . . . 0.491 " O2'" " H5'" ' A' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.271 0 C1'-O4'-C4' 107.876 -1.916 . 0.967 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ' A' . . . . . 0.511 ' OP1' ' CG2' ' B' ' 16' ' ' ILE . . . . . . . . 0 O4'--C1' 1.443 2.387 0 C1'-O4'-C4' 107.997 -1.781 . 0.959 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ' G' . . . . . 0.581 " O2'" " H5'" ' A' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.186 0 C3'-C2'-C1' 103.024 1.693 . 0.97 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ' A' . . . . . 0.581 " H5'" " O2'" ' A' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.252 0 C3'-C2'-C1' 103.43 2.144 . 0.961 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ' U' . . . . . 0.905 " H4'" ' OP1' ' A' ' 26' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.561 3.34 0 O5'-C5'-C4' 112.037 1.312 . 0.763 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ' C' . . . . . 0.791 ' OP1' " H2'" ' A' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.426 -2.244 0 C3'-C2'-C1' 103.415 2.128 . 0.01 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ' U' . . . . . 0.791 " H2'" ' OP1' ' A' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.139 0 C3'-C2'-C1' 104.522 3.358 . 0.078 5p . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ' G' . . . . . 0.905 ' OP1' " H4'" ' A' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.413 0 C1'-O4'-C4' 107.75 -2.056 . 0.243 6d . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ' A' . . . . . 0.634 " O2'" " H5'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.359 0 C1'-O4'-C4' 107.182 -2.686 . 0.933 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ' G' . . . . . 0.634 " H5'" " O2'" ' A' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.519 0 C1'-O4'-C4' 107.594 -2.229 . 0.905 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ' C' . . . . . 0.604 " H5'" " O2'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.268 0 C1'-O4'-C4' 107.681 -2.132 . 0.922 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . 0.43 " H5'" " O2'" ' A' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.273 0 C1'-O4'-C4' 107.73 -2.077 . 0.96 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ' U' . . . . . 0.809 " O2'" " H5'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 C3'-C2'-C1' 103.556 2.285 . 0.988 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ' G' . . . . . 0.809 " H5'" " O2'" ' A' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.432 -1.764 0 O4'-C4'-C3' 107.506 1.433 . 0.934 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ' G' . . . . . 0.665 ' P ' " O2'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.052 0 C3'-C2'-C1' 103.279 1.976 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ' G' . . . . . 0.856 " O2'" " H5'" ' A' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.348 0 C3'-C2'-C1' 104.683 3.536 . 0.84 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ' A' . . . . . 0.856 " H5'" " O2'" ' A' ' 34' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.501 -2.055 0 C3'-C2'-C1' 104.21 3.011 . 0.093 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ' G' . . . . . 0.418 ' OP2' ' O ' ' B' ' 13' ' ' CYS . . . . . . . . 0 O4'--C1' 1.442 2.313 0 C4'-C3'-C2' 101.134 -1.566 . 0.713 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ' C' . . . . . 0.442 ' H42' HH12 ' B' ' 7' ' ' ARG . . . . . . . . 0 O4'--C1' 1.443 2.4 0 C1'-O4'-C4' 108.083 -1.685 . 0.947 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ' U' . . . . . 0.418 " H5'" " O2'" ' A' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.446 2.663 0 C4'-C3'-C2' 100.538 -2.162 . 0.933 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ' C' . . . . . 0.469 " O2'" " H5'" ' A' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.444 2.518 0 C1'-O4'-C4' 107.152 -2.72 . 0.926 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ' U' . . . . . 0.469 " H5'" " O2'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.272 0 O5'-C5'-C4' 112.883 1.916 . 0.939 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.109 0 C4'-C3'-C2' 100.999 -1.701 . 0.971 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.201 0 C4'-C3'-C2' 101.137 -1.563 . 0.986 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.16 0 C4'-C3'-C2' 100.916 -1.784 . 0.99 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ' C' . . . . . 0.486 " O2'" " H5'" ' A' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.313 0 C1'-O4'-C4' 107.935 -1.85 . 0.979 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ' C' . . . . . 0.486 " H5'" " O2'" ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.588 0 C3'-C2'-C1' 104.06 2.845 . 0.974 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ARG . . . . . 0.563 ' O ' ' O ' ' B' ' 16' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.153 0 CA-C-O 120.572 0.225 . . . . 0.0 110.701 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -109.1 135.27 48.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.402 -179.375 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ARG . . . . . 0.627 ' O ' ' HA ' ' B' ' 13' ' ' CYS . 13.5 ttt-85 -98.62 131.51 44.75 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.204 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' CYS . . . . . 0.503 ' HA ' ' HA ' ' B' ' 13' ' ' CYS . 1.7 m -102.74 152.15 21.57 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 -178.079 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.742 HH21 HD11 ' B' ' 12' ' ' ILE . 12.4 ttp180 -140.99 129.35 22.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.619 -1.173 . . . . 0.0 109.907 179.351 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 41.9 tp60 -65.52 115.92 6.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.844 0.354 . . . . 0.0 110.721 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ARG . . . . . 0.683 ' CZ ' HD13 ' B' ' 12' ' ' ILE . 9.4 ttm180 -144.34 115.1 7.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.444 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' LYS . . . . . 0.651 ' C ' ' H ' ' B' ' 10' ' ' ARG . 7.4 mttp 60.31 64.13 1.27 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 178.193 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.402 ' HA2' ' C4 ' ' A' ' 24' ' ' ' C' . . . 62.52 -22.88 0.07 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.321 -0.712 . . . . 0.0 111.321 177.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.651 ' H ' ' C ' ' B' ' 8' ' ' LYS . 4.2 mmt-85 -116.5 145.67 43.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.809 0.338 . . . . 0.0 110.439 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.486 ' HA ' ' O ' ' B' ' 5' ' ' ARG . 29.5 ptt180 -94.02 123.51 37.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.979 -179.181 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.742 HD11 HH21 ' B' ' 5' ' ' ARG . 14.9 pt -89.84 139.21 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.13 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' CYS . . . . . 0.627 ' HA ' ' O ' ' B' ' 3' ' ' ARG . 0.1 OUTLIER -114.21 149.3 36.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.121 0.486 . . . . 0.0 111.54 -177.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ILE . . . . . 0.423 ' O ' HG12 ' B' ' 16' ' ' ILE . 0.9 OUTLIER -128.37 131.2 69.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.255 178.744 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.19 116.42 9.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.007 -178.568 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.563 ' O ' ' O ' ' B' ' 1' ' ' ARG . 0.1 OUTLIER -151.66 166.18 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.616 177.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 17' ' ' DPR . . . . . 0.421 ' C ' ' O ' ' B' ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' PRO . . . . . 0.416 ' O ' ' CB ' ' B' ' 1' ' ' ARG . 88.4 Cg_endo . . . . . 0 C--N 1.303 -1.841 0 C-N-CA 123.012 2.474 . . . . 0.0 112.025 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ' G' . . . . . 0.411 " O2'" " H5'" ' A' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.192 0 C3'-C2'-C1' 102.656 1.284 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ' G' . . . . . 0.468 " O2'" " H5'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.286 0 C1'-O4'-C4' 108.068 -1.702 . 0.974 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ' C' . . . . . 0.496 " O2'" " H5'" ' A' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.247 0 C1'-O4'-C4' 107.813 -1.986 . 0.964 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ' A' . . . . . 0.496 " H5'" " O2'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.442 2.349 0 C1'-O4'-C4' 108.063 -1.708 . 0.954 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ' G' . . . . . 0.619 " O2'" " H5'" ' A' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.44 2.153 0 C3'-C2'-C1' 103.074 1.749 . 0.968 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ' A' . . . . . 0.649 ' N7 ' ' NH1' ' B' ' 5' ' ' ARG . . . . . . . . 0 O4'--C4' 1.428 -2.125 0 C3'-C2'-C1' 103.464 2.182 . 0.956 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ' U' . . . . . 0.937 " H4'" ' OP1' ' A' ' 26' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.551 2.457 0 C5'-C4'-C3' 113.007 -1.662 . 0.64 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ' C' . . . . . 0.93 H5'' ' OP2' ' A' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.195 0 C4'-C3'-C2' 106.687 3.987 OUTLIER-DELTA 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ' U' . . . . . 0.93 ' OP2' H5'' ' A' ' 24' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.56 3.302 0 C4'-C3'-C2' 106.363 3.663 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ' G' . . . . . 0.937 ' OP1' " H4'" ' A' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.402 0 C1'-O4'-C4' 107.792 -2.009 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ' A' . . . . . 0.666 " O2'" " H5'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.448 0 C1'-O4'-C4' 107.083 -2.797 . 0.944 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ' G' . . . . . 0.666 " H5'" " O2'" ' A' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.448 0 C1'-O4'-C4' 107.58 -2.245 . 0.854 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ' C' . . . . . 0.607 " H5'" " O2'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.237 0 C1'-O4'-C4' 107.566 -2.26 . 0.925 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . 0.41 ' C4 ' ' C5 ' ' A' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.426 -2.277 0 C1'-O4'-C4' 107.737 -2.07 . 0.959 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ' U' . . . . . 0.813 " O2'" " H5'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C3'-C2'-C1' 103.432 2.147 . 0.987 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ' G' . . . . . 0.813 " H5'" " O2'" ' A' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.432 -1.788 0 C3'-C2'-C1' 102.814 1.46 . 0.934 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ' G' . . . . . 0.646 ' P ' " O2'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.123 0 C3'-C2'-C1' 103.196 1.884 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ' G' . . . . . 0.739 " O2'" " H5'" ' A' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.366 0 C3'-C2'-C1' 104.595 3.439 . 0.803 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ' A' . . . . . 0.739 " H5'" " O2'" ' A' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.43 -1.905 0 C3'-C2'-C1' 104.153 2.947 . 0.047 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 2.334 0 C4'-C3'-C2' 101.125 -1.575 . 0.72 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ' C' . . . . . 0.417 " O2'" " H5'" ' A' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.443 2.394 0 C1'-O4'-C4' 108.095 -1.673 . 0.973 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ' U' . . . . . 0.435 " H2'" " O4'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.446 2.638 0 C1'-O4'-C4' 108.043 -1.73 . 0.942 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ' C' . . . . . 0.564 " O2'" " H5'" ' A' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.444 2.523 0 C1'-O4'-C4' 107.176 -2.693 . 0.923 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ' U' . . . . . 0.564 " H5'" " O2'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.23 0 O5'-C5'-C4' 112.889 1.921 . 0.951 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.551 2.45 0 C4'-C3'-C2' 100.685 -2.015 . 0.978 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.109 0 C4'-C3'-C2' 100.98 -1.72 . 0.982 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.138 0 O4'-C4'-C3' 103.174 -1.662 . 0.984 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ' C' . . . . . 0.488 " O2'" " H5'" ' A' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.244 0 C1'-O4'-C4' 108.005 -1.772 . 0.978 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ' C' . . . . . 0.488 " H5'" " O2'" ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.696 0 C3'-C2'-C1' 104.104 2.893 . 0.977 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ARG . . . . . 0.481 ' CG ' HH11 ' B' ' 1' ' ' ARG . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.168 0 CA-C-O 120.652 0.263 . . . . 0.0 110.557 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.53 HG21 ' H21' ' A' ' 34' ' ' ' G' . 1.3 m -101.84 138.22 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 120.859 0.361 . . . . 0.0 111.372 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ARG . . . . . 0.728 HH12 HD12 ' B' ' 14' ' ' ILE . 8.7 ttt-85 -94.26 113.86 25.85 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' CYS . . . . . 0.561 ' HA ' ' HA ' ' B' ' 13' ' ' CYS . 1.4 m -94.64 149.28 21.41 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -178.259 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.649 ' NH1' ' N7 ' ' A' ' 22' ' ' ' A' . 0.0 OUTLIER -143.23 132.51 23.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.691 -1.14 . . . . 0.0 109.854 179.749 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.588 ' NE2' ' C ' ' B' ' 6' ' ' GLN . 0.0 OUTLIER -67.11 119.75 12.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.964 0.411 . . . . 0.0 110.735 -179.792 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ARG . . . . . 0.782 ' HE ' HG21 ' B' ' 12' ' ' ILE . 58.7 ttp85 -145.62 114.02 6.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.424 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' LYS . . . . . 0.631 ' C ' ' H ' ' B' ' 10' ' ' ARG . 22.6 mttm 58.33 62.55 1.96 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.937 178.44 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 62.71 -21.79 0.07 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.371 -0.692 . . . . 0.0 111.371 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.631 ' H ' ' C ' ' B' ' 8' ' ' LYS . 0.0 OUTLIER -113.11 142.27 45.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.835 0.35 . . . . 0.0 110.465 179.682 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.444 ' HA ' ' O ' ' B' ' 5' ' ' ARG . 10.1 ptm180 -92.7 121.93 34.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.941 -179.1 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.782 HG21 ' HE ' ' B' ' 7' ' ' ARG . 11.7 pt -89.81 137.92 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 178.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' CYS . . . . . 0.624 ' H ' " H5'" ' A' ' 35' ' ' ' A' . 0.0 OUTLIER -112.98 149.95 32.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.12 0.486 . . . . 0.0 111.618 -177.812 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ILE . . . . . 0.728 HD12 HH12 ' B' ' 3' ' ' ARG . 81.3 mt -124.14 115.99 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.313 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.507 ' HA ' HG12 ' B' ' 2' ' ' VAL . 0.0 OUTLIER -48.61 123.58 6.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.969 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.53 ' O ' ' C ' ' B' ' 17' ' ' DPR . 5.4 mm -139.53 84.35 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.58 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' DPR . . . . . 0.53 ' C ' ' O ' ' B' ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo . . . . . 0 C--N 1.304 -1.811 0 C-N-CA 122.999 2.466 . . . . 0.0 111.978 179.974 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 2.7 ptp85 . . . . . 0 CA--C 1.53 0.197 0 CA-C-O 120.556 0.217 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.427 ' HB ' ' SG ' ' B' ' 13' ' ' CYS . 0.0 OUTLIER -103.96 137.43 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.403 -179.738 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . 0.573 ' CG ' HH11 ' B' ' 3' ' ' ARG . 0.0 OUTLIER -96.06 117.51 30.83 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.357 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' CYS . . . . . 0.571 ' HA ' ' HA ' ' B' ' 13' ' ' CYS . 1.3 m -96.28 152.98 18.07 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -177.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.419 ' HE ' HD11 ' B' ' 12' ' ' ILE . 6.6 ttp180 -144.82 141.42 29.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 113.535 -1.666 . . . . 0.0 109.852 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -77.14 105.58 8.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.898 0.38 . . . . 0.0 110.784 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' ARG . . . . . 0.542 ' O ' ' O ' ' B' ' 10' ' ' ARG . 7.7 ttm180 -137.88 133.39 33.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.443 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . 0.632 ' C ' ' H ' ' B' ' 10' ' ' ARG . 35.4 mmtt 56.96 51.73 10.22 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.14 -20.37 0.08 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.632 ' H ' ' C ' ' B' ' 8' ' ' LYS . 3.4 tpp85 -108.96 159.83 16.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.793 0.33 . . . . 0.0 110.495 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.408 ' N ' ' HG3' ' B' ' 10' ' ' ARG . 10.5 ptm180 -95.0 114.11 25.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.952 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.419 HD11 ' HE ' ' B' ' 5' ' ' ARG . 2.2 pp -89.35 136.1 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . 0.571 ' HA ' ' HA ' ' B' ' 4' ' ' CYS . 0.1 OUTLIER -112.9 154.11 26.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.176 0.512 . . . . 0.0 111.64 -177.006 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 7.6 mt -125.34 118.99 54.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.355 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.476 ' O ' ' CG ' ' B' ' 15' ' ' ARG . 12.0 ptm180 -51.32 121.51 6.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.006 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.526 ' O ' HG22 ' B' ' 16' ' ' ILE . 5.5 mm . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.59 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' ARG . . . . . 0.417 HH11 ' HB3' ' B' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.146 0 CA-C-O 120.598 0.237 . . . . 0.0 110.586 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.602 ' CG1' HH21 ' B' ' 15' ' ' ARG . 0.2 OUTLIER -103.36 134.05 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-O 120.821 0.343 . . . . 0.0 111.37 -179.874 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . 0.584 ' O ' ' HA ' ' B' ' 13' ' ' CYS . 0.8 OUTLIER -97.69 122.2 40.49 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.838 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' CYS . . . . . 0.551 ' HA ' ' HA ' ' B' ' 13' ' ' CYS . 4.5 m -97.53 151.43 20.04 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -177.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -142.56 135.86 28.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.157 -1.383 . . . . 0.0 109.877 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 13.5 mp0 -70.73 115.44 9.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.956 0.408 . . . . 0.0 110.791 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' ARG . . . . . 0.648 ' O ' ' O ' ' B' ' 10' ' ' ARG . 10.9 ttm180 -144.3 153.89 42.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.444 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . 0.487 ' C ' ' O ' ' B' ' 7' ' ' ARG . 55.1 mmtt 32.96 45.32 0.06 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.975 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 72.39 -20.55 0.97 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.321 -0.711 . . . . 0.0 111.321 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.648 ' O ' ' O ' ' B' ' 7' ' ' ARG . 11.2 mmp_? -109.04 150.53 27.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 110.431 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.486 ' O ' ' CG ' ' B' ' 11' ' ' ARG . 8.5 ptm180 -86.42 112.55 21.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.966 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 2.2 pp -88.27 133.8 29.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . 0.584 ' HA ' ' O ' ' B' ' 3' ' ' ARG . 0.0 OUTLIER -113.31 152.89 29.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.143 0.497 . . . . 0.0 111.587 -177.336 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . 0.437 HG22 ' O ' ' B' ' 3' ' ' ARG . 1.4 tt -126.23 123.36 63.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.283 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.602 HH21 ' CG1' ' B' ' 2' ' ' VAL . 0.3 OUTLIER -61.02 133.53 56.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.967 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.414 HD12 ' O ' ' B' ' 1' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.599 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' ARG . . . . . 0.566 ' O ' ' O ' ' B' ' 16' ' ' ILE . 8.6 mtm180 . . . . . 0 CA--C 1.53 0.179 0 CA-C-O 120.603 0.24 . . . . 0.0 110.566 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.636 HG12 ' HE ' ' B' ' 15' ' ' ARG . 5.4 m -105.08 139.01 27.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.37 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . 0.592 ' O ' ' HA ' ' B' ' 13' ' ' CYS . 2.8 ttt-85 -96.74 119.36 35.09 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' CYS . . . . . 0.524 ' HA ' ' HA ' ' B' ' 13' ' ' CYS . 9.0 m -96.86 150.52 20.64 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.855 0.836 . . . . 0.0 113.14 -178.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 50.6 mtt180 -145.25 137.16 25.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.921 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -72.1 101.7 2.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.806 0.336 . . . . 0.0 110.796 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' ARG . . . . . 0.509 ' O ' ' O ' ' B' ' 10' ' ' ARG . 12.1 ttm180 -134.61 129.55 35.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.379 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . 0.633 ' C ' ' H ' ' B' ' 10' ' ' ARG . 0.1 OUTLIER 60.33 54.62 3.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 178.894 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.3 -20.47 0.08 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 178.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.633 ' H ' ' C ' ' B' ' 8' ' ' LYS . 2.2 tpp180 -113.48 158.88 20.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.852 0.358 . . . . 0.0 110.451 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.449 ' N ' ' HG3' ' B' ' 10' ' ' ARG . 7.1 ptm180 -92.64 112.61 24.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.419 HD13 ' NH2' ' B' ' 7' ' ' ARG . 2.2 pp -90.94 137.43 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . 0.592 ' HA ' ' O ' ' B' ' 3' ' ' ARG . 0.0 OUTLIER -114.53 151.68 32.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.069 0.462 . . . . 0.0 111.614 -177.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 3.5 tt -126.95 126.27 68.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.272 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.636 ' HE ' HG12 ' B' ' 2' ' ' VAL . 11.0 tpp85 -52.35 114.78 1.46 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.019 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.566 ' O ' ' O ' ' B' ' 1' ' ' ARG . 9.4 mm . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.582 178.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 2.2 mmm-85 . . . . . 0 CA--C 1.529 0.166 0 CA-C-O 120.571 0.224 . . . . 0.0 110.576 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.46 ' HB ' ' SG ' ' B' ' 13' ' ' CYS . 0.1 OUTLIER -102.77 136.8 33.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.362 -179.583 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . 0.768 ' NH2' HH21 ' B' ' 5' ' ' ARG . 3.3 ttm180 -96.19 115.45 27.45 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' CYS . . . . . 0.506 ' HA ' ' O ' ' B' ' 12' ' ' ILE . 0.8 OUTLIER -100.88 150.63 22.64 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 -177.676 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.768 HH21 ' NH2' ' B' ' 3' ' ' ARG . 10.6 mtt180 -140.56 136.06 32.46 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 113.893 -1.503 . . . . 0.0 109.859 178.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . 0.935 ' H ' ' NE2' ' B' ' 6' ' ' GLN . 0.0 OUTLIER -70.2 120.0 15.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.947 0.403 . . . . 0.0 110.791 179.388 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' ARG . . . . . 0.569 ' O ' ' O ' ' B' ' 10' ' ' ARG . 35.4 ttp180 -145.34 122.77 11.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.423 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . 0.57 ' C ' ' H ' ' B' ' 10' ' ' ARG . 14.0 mttp 50.58 55.7 9.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.966 178.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 66.65 -20.55 0.19 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.276 -0.73 . . . . 0.0 111.276 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.57 ' H ' ' C ' ' B' ' 8' ' ' LYS . 4.9 mmp_? -108.39 142.69 38.37 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.434 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -91.63 119.61 31.67 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.506 ' O ' ' HA ' ' B' ' 4' ' ' CYS . 10.4 pt -86.78 132.66 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 178.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . 0.484 ' HA ' ' HA ' ' B' ' 4' ' ' CYS . 0.5 OUTLIER -112.6 148.66 34.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.122 0.487 . . . . 0.0 111.586 -177.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . 0.425 HG13 ' NH2' ' B' ' 5' ' ' ARG . 44.2 mm -124.1 113.2 35.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.313 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.58 125.77 19.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.005 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.69 HD12 ' HB2' ' B' ' 3' ' ' ARG . 63.5 mt . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.553 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' B' ' 1' ' ' ARG . 1.9 tpt180 . . . . . 0 CA--C 1.529 0.137 0 CA-C-O 120.594 0.235 . . . . 0.0 110.665 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.506 HG12 ' HA ' ' B' ' 15' ' ' ARG . 2.1 m -103.01 137.74 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 111.333 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . 0.64 ' HB2' HD12 ' B' ' 16' ' ' ILE . 0.0 OUTLIER -96.0 116.08 28.4 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 179.232 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' CYS . . . . . 0.592 ' SG ' ' NH1' ' B' ' 11' ' ' ARG . 1.6 m -94.67 150.84 19.81 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -177.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.561 ' N ' HH21 ' B' ' 3' ' ' ARG . 8.1 ttp180 -143.15 130.7 21.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.453 -1.249 . . . . 0.0 109.894 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . 0.694 ' CD ' ' H ' ' B' ' 6' ' ' GLN . 0.0 OUTLIER -63.73 122.61 16.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.923 0.392 . . . . 0.0 110.807 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' ARG . . . . . 0.566 ' O ' ' O ' ' B' ' 10' ' ' ARG . 2.7 ttp180 -144.71 105.93 4.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.409 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . 0.642 ' C ' ' H ' ' B' ' 10' ' ' ARG . 9.9 mttp 58.61 68.12 0.86 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 178.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 62.38 -23.07 0.07 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 178.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.642 ' H ' ' C ' ' B' ' 8' ' ' LYS . 0.0 OUTLIER -115.19 139.58 49.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.803 0.335 . . . . 0.0 110.463 179.729 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.592 ' NH1' ' SG ' ' B' ' 4' ' ' CYS . 32.0 ptt85 -93.86 125.97 38.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.926 -178.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.412 ' O ' ' NH2' ' B' ' 3' ' ' ARG . 28.8 pt -91.0 139.45 17.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 178.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . 0.574 ' HA ' ' HA ' ' B' ' 4' ' ' CYS . 0.0 OUTLIER -112.88 152.3 29.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.071 0.462 . . . . 0.0 111.591 -177.436 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . 0.5 HD12 ' NH1' ' B' ' 3' ' ' ARG . 46.3 mt -124.31 115.75 45.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.224 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.506 ' HA ' HG12 ' B' ' 2' ' ' VAL . 42.5 ttp180 -53.3 127.42 24.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.035 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.64 HD12 ' HB2' ' B' ' 3' ' ' ARG . 67.3 mt . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.596 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 17.3 ttp85 . . . . . 0 CA--C 1.53 0.178 0 CA-C-O 120.516 0.198 . . . . 0.0 110.642 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.492 HG12 ' HA ' ' B' ' 15' ' ' ARG . 0.9 OUTLIER -103.21 138.64 26.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 120.815 0.341 . . . . 0.0 111.355 -179.727 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . 0.478 ' O ' ' HA ' ' B' ' 13' ' ' CYS . 4.3 ttt-85 -94.88 112.26 23.99 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' CYS . . . . . 0.568 ' HA ' ' HA ' ' B' ' 13' ' ' CYS . 1.3 m -92.48 147.97 22.47 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 121.65 0.738 . . . . 0.0 112.909 -178.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.47 ' O ' ' HA ' ' B' ' 11' ' ' ARG . 1.9 ttm180 -142.38 133.54 26.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.879 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 20.8 tm0? -65.86 117.46 8.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.926 0.393 . . . . 0.0 110.748 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' ARG . . . . . 0.687 ' CZ ' HD13 ' B' ' 12' ' ' ILE . 16.3 ttm180 -144.96 114.72 7.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.43 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . 0.631 ' C ' ' H ' ' B' ' 10' ' ' ARG . 14.2 mttm 59.87 62.49 1.67 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 178.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.08 -22.59 0.08 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 178.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.631 ' H ' ' C ' ' B' ' 8' ' ' LYS . 7.0 tpp85 -115.22 145.61 42.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.812 0.339 . . . . 0.0 110.412 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.47 ' HA ' ' O ' ' B' ' 5' ' ' ARG . 26.2 ptt180 -92.4 123.18 35.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.004 -178.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.687 HD13 ' CZ ' ' B' ' 7' ' ' ARG . 5.4 pt -89.92 138.91 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 178.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . 0.568 ' HA ' ' HA ' ' B' ' 4' ' ' CYS . 0.1 OUTLIER -111.23 146.35 37.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.164 0.507 . . . . 0.0 111.549 -177.275 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . 0.419 HG13 HH12 ' B' ' 3' ' ' ARG . 46.8 mm -120.54 115.18 46.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.34 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.492 ' HA ' HG12 ' B' ' 2' ' ' VAL . 3.3 ptm85 -47.52 124.5 7.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.998 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.559 ' O ' HG22 ' B' ' 16' ' ' ILE . 5.5 mm . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.561 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' ARG . . . . . 0.578 ' O ' ' O ' ' B' ' 16' ' ' ILE . 21.7 ttp85 . . . . . 0 CA--C 1.531 0.214 0 CA-C-O 120.54 0.209 . . . . 0.0 110.606 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.658 HG12 ' HA ' ' B' ' 15' ' ' ARG . 15.7 m -125.51 136.09 61.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.387 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . 0.434 ' O ' ' HA ' ' B' ' 13' ' ' CYS . 4.9 ttt85 -98.4 132.28 43.99 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 177.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' CYS . . . . . 0.7 ' HA ' ' O ' ' B' ' 12' ' ' ILE . 23.2 m -105.34 146.07 29.89 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 122.104 0.954 . . . . 0.0 113.513 -177.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.44 ' O ' ' HA ' ' B' ' 11' ' ' ARG . 1.7 ttm180 -135.84 137.47 41.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.33 -1.304 . . . . 0.0 109.835 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -70.35 121.54 17.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.883 0.373 . . . . 0.0 110.78 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' ARG . . . . . 0.639 ' HG2' ' HZ3' ' B' ' 8' ' ' LYS . 0.0 OUTLIER -143.48 138.04 28.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.466 179.846 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . 0.639 ' HZ3' ' HG2' ' B' ' 7' ' ' ARG . 20.5 mmtm 36.65 45.12 0.37 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 77.03 -21.24 2.72 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.604 ' N ' ' O ' ' B' ' 7' ' ' ARG . 0.0 OUTLIER -104.09 139.8 38.67 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.462 179.777 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.451 ' O ' ' CG ' ' B' ' 11' ' ' ARG . 7.3 ptm180 -88.6 118.59 28.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.958 -179.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.7 ' O ' ' HA ' ' B' ' 4' ' ' CYS . 16.2 pt -86.41 130.77 36.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . 0.483 ' HA ' ' HA ' ' B' ' 4' ' ' CYS . 74.7 m -111.86 100.71 9.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.139 0.495 . . . . 0.0 111.583 -178.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . 0.446 ' O ' HG13 ' B' ' 16' ' ' ILE . 36.2 mt -81.78 127.15 39.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.273 -178.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.658 ' HA ' HG12 ' B' ' 2' ' ' VAL . 6.2 tpt180 -69.38 115.42 8.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.933 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.751 ' O ' HD12 ' B' ' 16' ' ' ILE . 1.6 pp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.586 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' B' ' 16' ' ' ILE . 5.6 ttm-85 . . . . . 0 CA--C 1.529 0.154 0 CA-C-O 120.577 0.227 . . . . 0.0 110.663 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -104.67 138.37 29.72 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 120.793 0.33 . . . . 0.0 111.385 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . 0.749 HH21 ' NH2' ' B' ' 5' ' ' ARG . 18.9 ttp-105 -95.53 114.9 26.71 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' CYS . . . . . 0.546 ' HA ' ' HA ' ' B' ' 13' ' ' CYS . 1.3 m -95.68 150.53 20.27 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 122.457 1.122 . . . . 0.0 113.819 -178.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.749 ' NH2' HH21 ' B' ' 3' ' ' ARG . 93.4 mtt180 -143.8 137.36 27.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.009 -1.45 . . . . 0.0 109.892 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -76.34 101.82 5.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.984 0.421 . . . . 0.0 110.742 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' ARG . . . . . 0.553 ' O ' ' O ' ' B' ' 10' ' ' ARG . 6.7 ttp180 -137.57 138.42 39.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.441 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . 0.588 ' C ' ' H ' ' B' ' 10' ' ' ARG . 0.1 OUTLIER 58.36 47.8 13.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.608 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.83 -15.22 0.12 Allowed Glycine 0 CA--C 1.527 0.8 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.588 ' H ' ' C ' ' B' ' 8' ' ' LYS . 0.1 OUTLIER -115.67 160.72 19.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.859 0.361 . . . . 0.0 110.452 179.804 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.46 ' N ' ' HG3' ' B' ' 10' ' ' ARG . 4.5 ptm180 -93.63 112.29 24.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 28.5 pt -89.02 135.04 26.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.798 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . 0.546 ' HA ' ' HA ' ' B' ' 4' ' ' CYS . 0.0 OUTLIER -113.13 149.71 33.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.093 0.473 . . . . 0.0 111.646 -177.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 5.2 mp -126.76 117.85 49.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.322 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.55 ' N ' ' CD ' ' B' ' 15' ' ' ARG . 0.0 OUTLIER -45.84 133.18 8.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.98 -179.791 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.654 ' O ' HG22 ' B' ' 16' ' ' ILE . 15.0 mm . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.506 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' ARG . . . . . 0.563 ' O ' ' O ' ' B' ' 16' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.153 0 CA-C-O 120.572 0.225 . . . . 0.0 110.701 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -109.1 135.27 48.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.402 -179.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . 0.627 ' O ' ' HA ' ' B' ' 13' ' ' CYS . 13.5 ttt-85 -98.62 131.51 44.75 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.204 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' CYS . . . . . 0.503 ' HA ' ' HA ' ' B' ' 13' ' ' CYS . 1.7 m -102.74 152.15 21.57 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 -178.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.742 HH21 HD11 ' B' ' 12' ' ' ILE . 12.4 ttp180 -140.99 129.35 22.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.619 -1.173 . . . . 0.0 109.907 179.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 41.9 tp60 -65.52 115.92 6.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.844 0.354 . . . . 0.0 110.721 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' ARG . . . . . 0.683 ' CZ ' HD13 ' B' ' 12' ' ' ILE . 9.4 ttm180 -144.34 115.1 7.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.444 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . 0.651 ' C ' ' H ' ' B' ' 10' ' ' ARG . 7.4 mttp 60.31 64.13 1.27 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 178.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 62.52 -22.88 0.07 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.321 -0.712 . . . . 0.0 111.321 177.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.651 ' H ' ' C ' ' B' ' 8' ' ' LYS . 4.2 mmt-85 -116.5 145.67 43.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.809 0.338 . . . . 0.0 110.439 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.486 ' HA ' ' O ' ' B' ' 5' ' ' ARG . 29.5 ptt180 -94.02 123.51 37.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.979 -179.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.742 HD11 HH21 ' B' ' 5' ' ' ARG . 14.9 pt -89.84 139.21 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.13 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . 0.627 ' HA ' ' O ' ' B' ' 3' ' ' ARG . 0.1 OUTLIER -114.21 149.3 36.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.121 0.486 . . . . 0.0 111.54 -177.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . 0.423 ' O ' HG12 ' B' ' 16' ' ' ILE . 0.9 OUTLIER -128.37 131.2 69.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.255 178.744 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.19 116.42 9.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.007 -178.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.563 ' O ' ' O ' ' B' ' 1' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.616 177.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' ARG . . . . . 0.481 ' CG ' HH11 ' B' ' 1' ' ' ARG . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.168 0 CA-C-O 120.652 0.263 . . . . 0.0 110.557 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.507 HG12 ' HA ' ' B' ' 15' ' ' ARG . 1.3 m -101.84 138.22 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 120.859 0.361 . . . . 0.0 111.372 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . 0.728 HH12 HD12 ' B' ' 14' ' ' ILE . 8.7 ttt-85 -94.26 113.86 25.85 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' CYS . . . . . 0.561 ' HA ' ' HA ' ' B' ' 13' ' ' CYS . 1.4 m -94.64 149.28 21.41 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -178.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.444 ' O ' ' HA ' ' B' ' 11' ' ' ARG . 0.0 OUTLIER -143.23 132.51 23.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.691 -1.14 . . . . 0.0 109.854 179.749 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . 0.608 HE22 ' CA ' ' B' ' 9' ' ' GLY . 2.8 tm0? -67.11 119.75 12.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.964 0.411 . . . . 0.0 110.735 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' ARG . . . . . 0.782 ' HE ' HG21 ' B' ' 12' ' ' ILE . 58.7 ttp85 -145.62 114.02 6.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.424 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . 0.631 ' C ' ' H ' ' B' ' 10' ' ' ARG . 22.6 mttm 58.33 62.55 1.96 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.937 178.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . 0.608 ' CA ' HE22 ' B' ' 6' ' ' GLN . . . 62.71 -21.79 0.07 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.371 -0.692 . . . . 0.0 111.371 178.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.631 ' H ' ' C ' ' B' ' 8' ' ' LYS . 0.0 OUTLIER -113.11 142.27 45.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.835 0.35 . . . . 0.0 110.465 179.682 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.444 ' HA ' ' O ' ' B' ' 5' ' ' ARG . 10.1 ptm180 -92.7 121.93 34.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.941 -179.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.782 HG21 ' HE ' ' B' ' 7' ' ' ARG . 11.7 pt -89.81 137.92 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 178.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . 0.561 ' HA ' ' HA ' ' B' ' 4' ' ' CYS . 0.0 OUTLIER -112.98 149.95 32.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.12 0.486 . . . . 0.0 111.618 -177.812 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . 0.728 HD12 HH12 ' B' ' 3' ' ' ARG . 81.3 mt -124.14 115.99 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.313 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.507 ' HA ' HG12 ' B' ' 2' ' ' VAL . 0.0 OUTLIER -48.61 123.58 6.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.969 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.508 HG22 ' O ' ' B' ' 16' ' ' ILE . 5.4 mm . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.58 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 2.262 0 C3'-C2'-C1' 102.609 1.233 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ' G' . . . . . 0.463 " O2'" " H5'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.199 0 C1'-O4'-C4' 107.959 -1.824 . 0.974 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ' C' . . . . . 0.493 " O2'" " H5'" ' A' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.199 0 C1'-O4'-C4' 107.881 -1.91 . 0.963 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ' A' . . . . . 0.493 " H5'" " O2'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.271 0 C1'-O4'-C4' 108.046 -1.726 . 0.956 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ' G' . . . . . 0.76 ' P ' ' HE ' ' B' ' 3' ' ' ARG . . . . . . . . 0 O4'--C1' 1.441 2.232 0 C3'-C2'-C1' 103.057 1.73 . 0.974 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ' A' . . . . . 0.616 " H5'" " O2'" ' A' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.24 0 C3'-C2'-C1' 103.455 2.173 . 0.953 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ' U' . . . . . 1.009 " H4'" ' OP1' ' A' ' 26' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.559 3.218 0 O5'-C5'-C4' 111.943 1.245 . 0.762 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ' C' . . . . . 0.981 ' OP1' " H2'" ' A' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.428 -2.057 0 C3'-C2'-C1' 103.437 2.152 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ' U' . . . . . 0.981 " H2'" ' OP1' ' A' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.429 -2.03 0 C3'-C2'-C1' 104.645 3.494 . 0.115 5p . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ' G' . . . . . 1.009 ' OP1' " H4'" ' A' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.379 0 C1'-O4'-C4' 107.745 -2.061 . 0.201 6d . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ' A' . . . . . 0.732 ' OP2' H5'' ' A' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.446 0 C1'-O4'-C4' 107.09 -2.789 . 0.953 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ' G' . . . . . 0.605 " H5'" " O2'" ' A' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.407 0 C1'-O4'-C4' 107.456 -2.382 . 0.877 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ' C' . . . . . 0.585 " H5'" " O2'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.225 0 C1'-O4'-C4' 107.591 -2.232 . 0.921 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . 0.492 " O2'" " H5'" ' A' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.348 0 C1'-O4'-C4' 107.732 -2.076 . 0.961 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ' U' . . . . . 0.829 " O2'" " H5'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 C3'-C2'-C1' 103.49 2.211 . 0.982 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ' G' . . . . . 0.829 " H5'" " O2'" ' A' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.432 -1.779 0 O4'-C4'-C3' 107.571 1.479 . 0.922 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ' G' . . . . . 0.627 ' P ' " O2'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.067 0 C3'-C2'-C1' 103.312 2.013 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ' G' . . . . . 0.787 " O2'" " H5'" ' A' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.356 0 C3'-C2'-C1' 104.608 3.453 . 0.437 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ' A' . . . . . 0.787 " H5'" " O2'" ' A' ' 34' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.496 -2.543 0 C4'-C3'-C2' 106.585 3.885 . 0.072 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 2.296 0 C4'-C3'-C2' 101.305 -1.395 . 0.709 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ' C' . . . . . 0.404 " O2'" " H5'" ' A' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.442 2.332 0 C4'-C3'-C2' 100.928 -1.772 . 0.967 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ' U' . . . . . 0.476 " H2'" " O4'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.446 2.632 0 C4'-C3'-C2' 100.391 -2.309 . 0.943 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ' C' . . . . . 0.532 ' C2 ' ' C2 ' ' A' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.444 2.524 0 C1'-O4'-C4' 107.164 -2.707 . 0.908 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ' U' . . . . . 0.487 ' O2 ' ' C2 ' ' A' ' 26' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.441 2.237 0 O5'-C5'-C4' 112.919 1.942 . 0.933 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 2.273 0 C4'-C3'-C2' 100.771 -1.929 . 0.975 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.161 0 C4'-C3'-C2' 101.175 -1.525 . 0.984 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.186 0 C4'-C3'-C2' 100.981 -1.719 . 0.99 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ' C' . . . . . 0.482 " O2'" " H5'" ' A' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.343 0 C1'-O4'-C4' 107.953 -1.83 . 0.979 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ' C' . . . . . 0.482 " H5'" " O2'" ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.774 0 C3'-C2'-C1' 104.086 2.873 . 0.978 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 2.7 ptp85 . . . . . 0 CA--C 1.53 0.197 0 CA-C-O 120.556 0.217 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.462 HG21 ' H21' ' A' ' 34' ' ' ' G' . 0.0 OUTLIER -103.96 137.43 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.403 -179.738 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . 0.76 ' HE ' ' P ' ' A' ' 21' ' ' ' G' . 0.0 OUTLIER -96.06 117.51 30.83 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.357 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' CYS . . . . . 0.571 ' HA ' ' HA ' ' B' ' 13' ' ' CYS . 1.3 m -96.28 152.98 18.07 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -177.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.419 ' HE ' HD11 ' B' ' 12' ' ' ILE . 6.6 ttp180 -144.82 141.42 29.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 113.535 -1.666 . . . . 0.0 109.852 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -77.14 105.58 8.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.898 0.38 . . . . 0.0 110.784 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . 0.542 ' O ' ' O ' ' B' ' 10' ' ' ARG . 7.7 ttm180 -137.88 133.39 33.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.443 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . 0.632 ' C ' ' H ' ' B' ' 10' ' ' ARG . 35.4 mmtt 56.96 51.73 10.22 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.475 ' N ' ' C5 ' ' A' ' 24' ' ' ' C' . . . 63.14 -20.37 0.08 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.783 HH11 ' N2 ' ' A' ' 32' ' ' ' G' . 3.4 tpp85 -108.96 159.83 16.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.793 0.33 . . . . 0.0 110.495 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.408 ' N ' ' HG3' ' B' ' 10' ' ' ARG . 10.5 ptm180 -95.0 114.11 25.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.952 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.419 HD11 ' HE ' ' B' ' 5' ' ' ARG . 2.2 pp -89.35 136.1 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . 0.571 ' HA ' ' HA ' ' B' ' 4' ' ' CYS . 0.1 OUTLIER -112.9 154.11 26.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.176 0.512 . . . . 0.0 111.64 -177.006 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 7.6 mt -125.34 118.99 54.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.355 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.476 ' CG ' ' O ' ' B' ' 15' ' ' ARG . 12.0 ptm180 -51.32 121.51 6.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.006 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.526 HG22 ' O ' ' B' ' 16' ' ' ILE . 5.5 mm -136.9 80.36 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.59 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' DPR . . . . . 0.524 ' C ' ' O ' ' B' ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo . . . . . 0 C--N 1.302 -1.879 0 C-N-CA 123.032 2.488 . . . . 0.0 112.032 179.348 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ' G' . . . . . 0.413 " O2'" " H5'" ' A' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.168 0 C3'-C2'-C1' 102.591 1.212 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ' G' . . . . . 0.499 " O2'" " H5'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.214 0 C1'-O4'-C4' 108.041 -1.733 . 0.975 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ' C' . . . . . 0.499 " H5'" " O2'" ' A' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.202 0 C1'-O4'-C4' 107.838 -1.958 . 0.97 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ' A' . . . . . 0.497 " H5'" " O2'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.272 0 C1'-O4'-C4' 108.064 -1.707 . 0.938 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ' G' . . . . . 0.64 " O2'" " H5'" ' A' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.441 2.226 0 C3'-C2'-C1' 103.097 1.775 . 0.966 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ' A' . . . . . 0.64 " H5'" " O2'" ' A' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.235 0 C3'-C2'-C1' 103.432 2.146 . 0.958 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ' U' . . . . . 1.009 " H4'" ' OP1' ' A' ' 26' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.556 2.87 0 O5'-C5'-C4' 111.941 1.244 . 0.725 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ' C' . . . . . 0.897 ' OP1' " H2'" ' A' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.145 0 C3'-C2'-C1' 103.43 2.144 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ' U' . . . . . 0.897 " H2'" ' OP1' ' A' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.13 0 C3'-C2'-C1' 104.63 3.478 . 0.18 5p . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ' G' . . . . . 1.009 ' OP1' " H4'" ' A' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.467 0 C1'-O4'-C4' 107.76 -2.044 . 0.172 6d . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ' A' . . . . . 0.765 ' OP2' H5'' ' A' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.496 0 C1'-O4'-C4' 107.146 -2.727 . 0.948 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ' G' . . . . . 0.676 " H5'" " O2'" ' A' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.472 0 C1'-O4'-C4' 107.513 -2.319 . 0.872 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ' C' . . . . . 0.591 " H5'" " O2'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.267 0 C1'-O4'-C4' 107.631 -2.188 . 0.92 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . 0.417 " H5'" " O2'" ' A' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.289 0 C1'-O4'-C4' 107.744 -2.062 . 0.965 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ' U' . . . . . 0.797 " O2'" " H5'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.523 0 C3'-C2'-C1' 103.487 2.208 . 0.988 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ' G' . . . . . 0.797 " H5'" " O2'" ' A' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.806 0 O4'-C4'-C3' 107.54 1.457 . 0.938 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ' G' . . . . . 0.663 ' P ' " O2'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.158 0 C3'-C2'-C1' 103.237 1.93 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ' G' . . . . . 0.809 " O2'" " H5'" ' A' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.4 0 C3'-C2'-C1' 104.662 3.513 . 0.866 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ' A' . . . . . 0.809 " H5'" " O2'" ' A' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -1.993 0 C3'-C2'-C1' 104.179 2.977 . 0.076 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 2.329 0 C4'-C3'-C2' 101.244 -1.456 . 0.716 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ' C' . . . . . 0.416 " O2'" " H5'" ' A' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.443 2.392 0 C1'-O4'-C4' 108.087 -1.681 . 0.927 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ' U' . . . . . 0.449 " H2'" " O4'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.446 2.638 0 C4'-C3'-C2' 100.792 -1.908 . 0.935 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ' C' . . . . . 0.505 " O2'" " H5'" ' A' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.443 2.446 0 C1'-O4'-C4' 107.192 -2.676 . 0.914 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ' U' . . . . . 0.505 " H5'" " O2'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.175 0 O5'-C5'-C4' 112.876 1.912 . 0.935 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.554 2.745 0 C4'-C3'-C2' 100.595 -2.105 . 0.97 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.167 0 C4'-C3'-C2' 100.904 -1.796 . 0.976 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.628 9.461 1 O4'-C4'-C3' 97.973 -5.377 . 0.929 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ' C' . . . . . 0.491 " O2'" " H5'" ' A' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.327 0 C1'-O4'-C4' 107.939 -1.846 . 0.972 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ' C' . . . . . 0.491 " H5'" " O2'" ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.715 0 C3'-C2'-C1' 104.06 2.845 . 0.972 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ARG . . . . . 0.417 HH11 ' HB3' ' B' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.146 0 CA-C-O 120.598 0.237 . . . . 0.0 110.586 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.602 ' CG1' HH21 ' B' ' 15' ' ' ARG . 0.2 OUTLIER -103.36 134.05 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-O 120.821 0.343 . . . . 0.0 111.37 -179.874 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . 0.584 ' O ' ' HA ' ' B' ' 13' ' ' CYS . 0.8 OUTLIER -97.69 122.2 40.49 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.838 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' CYS . . . . . 0.551 ' HA ' ' HA ' ' B' ' 13' ' ' CYS . 4.5 m -97.53 151.43 20.04 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -177.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.595 ' NE ' ' OP2' ' A' ' 22' ' ' ' A' . 69.5 mtt180 -142.56 135.86 28.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.157 -1.383 . . . . 0.0 109.877 179.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 13.5 mp0 -70.73 115.44 9.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.956 0.408 . . . . 0.0 110.791 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . 0.648 ' O ' ' O ' ' B' ' 10' ' ' ARG . 10.9 ttm180 -144.3 153.89 42.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.444 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . 0.487 ' C ' ' O ' ' B' ' 7' ' ' ARG . 55.1 mmtt 32.96 45.32 0.06 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.975 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 72.39 -20.55 0.97 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.321 -0.711 . . . . 0.0 111.321 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.648 ' O ' ' O ' ' B' ' 7' ' ' ARG . 11.2 mmp_? -109.04 150.53 27.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 110.431 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.502 ' O ' " O4'" ' A' ' 34' ' ' ' G' . 8.5 ptm180 -86.42 112.55 21.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.966 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 2.2 pp -88.27 133.8 29.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . 0.584 ' HA ' ' O ' ' B' ' 3' ' ' ARG . 0.0 OUTLIER -113.31 152.89 29.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.143 0.497 . . . . 0.0 111.587 -177.336 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . 0.437 HG22 ' O ' ' B' ' 3' ' ' ARG . 1.4 tt -126.23 123.36 63.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.283 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.602 HH21 ' CG1' ' B' ' 2' ' ' VAL . 0.3 OUTLIER -61.02 133.53 56.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.967 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.528 ' O ' ' C ' ' B' ' 17' ' ' DPR . 0.3 OUTLIER -153.93 95.48 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.599 179.603 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' DPR . . . . . 0.528 ' C ' ' O ' ' B' ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' B' ' 16' ' ' ILE . 90.9 Cg_exo . . . . . 0 C--N 1.302 -1.9 0 C-N-CA 123.025 2.483 . . . . 0.0 112.016 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 2.211 0 C4'-C3'-C2' 101.377 -1.323 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ' G' . . . . . 0.409 " O2'" " H5'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.186 0 C1'-O4'-C4' 108.016 -1.76 . 0.977 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ' C' . . . . . 0.451 " O2'" " H5'" ' A' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.232 0 C1'-O4'-C4' 107.835 -1.961 . 0.975 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ' A' . . . . . 0.454 " O2'" " H5'" ' A' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.442 2.312 0 C1'-O4'-C4' 108.057 -1.715 . 0.966 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ' G' . . . . . 0.631 " O2'" " H5'" ' A' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.204 0 C1'-O4'-C4' 108.064 -1.706 . 0.972 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ' A' . . . . . 0.631 " H5'" " O2'" ' A' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.198 0 C3'-C2'-C1' 103.499 2.221 . 0.956 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ' U' . . . . . 0.905 " H4'" ' OP1' ' A' ' 26' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.087 0 C5'-C4'-C3' 113.296 -1.47 . 0.763 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ' C' . . . . . 0.718 ' OP1' " H2'" ' A' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.428 -2.11 0 C3'-C2'-C1' 103.345 2.05 . 0.01 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ' U' . . . . . 0.718 " H2'" ' OP1' ' A' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.428 -2.073 0 C3'-C2'-C1' 104.5 3.334 . 0.087 5p . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ' G' . . . . . 0.905 ' OP1' " H4'" ' A' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.395 0 C1'-O4'-C4' 107.764 -2.04 . 0.276 6d . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ' A' . . . . . 0.63 " O2'" " H5'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.519 0 C1'-O4'-C4' 107.158 -2.713 . 0.934 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ' G' . . . . . 0.63 " H5'" " O2'" ' A' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.563 0 C1'-O4'-C4' 107.574 -2.252 . 0.9 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ' C' . . . . . 0.602 " H5'" " O2'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.295 0 C1'-O4'-C4' 107.601 -2.222 . 0.924 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . 0.448 " H5'" " O2'" ' A' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.291 0 C1'-O4'-C4' 107.791 -2.01 . 0.951 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ' U' . . . . . 0.788 " O2'" " H5'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.52 0 C3'-C2'-C1' 103.49 2.211 . 0.987 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ' G' . . . . . 0.788 " H5'" " O2'" ' A' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.863 0 O4'-C4'-C3' 107.546 1.461 . 0.937 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ' G' . . . . . 0.664 ' P ' " O2'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.064 0 C3'-C2'-C1' 103.24 1.933 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ' G' . . . . . 0.735 " O2'" " H5'" ' A' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.376 0 C3'-C2'-C1' 104.712 3.569 . 0.832 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ' A' . . . . . 0.735 " H5'" " O2'" ' A' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.43 -1.913 0 C3'-C2'-C1' 104.13 2.923 . 0.04 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 2.283 0 C4'-C3'-C2' 100.904 -1.796 . 0.683 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ' C' . . . . . 0.533 ' N4 ' HH12 ' B' ' 7' ' ' ARG . . . . . . . . 0 O4'--C1' 1.441 2.29 0 C1'-O4'-C4' 108.138 -1.624 . 0.957 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ' U' . . . . . 0.41 " H2'" " O4'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.445 2.59 0 C4'-C3'-C2' 100.244 -2.456 . 0.937 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ' C' . . . . . 0.447 ' C2 ' ' C2 ' ' A' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.444 2.526 0 C1'-O4'-C4' 107.213 -2.652 . 0.925 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ' U' . . . . . 0.432 " H5'" " O2'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.231 0 O5'-C5'-C4' 112.907 1.934 . 0.934 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.549 2.256 0 C4'-C3'-C2' 100.824 -1.876 . 0.968 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.142 0 C4'-C3'-C2' 100.89 -1.81 . 0.981 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.107 0 C4'-C3'-C2' 100.776 -1.924 . 0.991 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ' C' . . . . . 0.464 " O2'" " H5'" ' A' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.226 0 C1'-O4'-C4' 107.954 -1.829 . 0.984 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ' C' . . . . . 0.464 " H5'" " O2'" ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.75 0 C3'-C2'-C1' 104.026 2.807 . 0.98 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ARG . . . . . 0.566 ' O ' ' O ' ' B' ' 16' ' ' ILE . 8.6 mtm180 . . . . . 0 CA--C 1.53 0.179 0 CA-C-O 120.603 0.24 . . . . 0.0 110.566 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.636 HG12 ' HE ' ' B' ' 15' ' ' ARG . 5.4 m -105.08 139.01 27.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.37 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . 0.592 ' O ' ' HA ' ' B' ' 13' ' ' CYS . 2.8 ttt-85 -96.74 119.36 35.09 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' CYS . . . . . 0.524 ' HA ' ' HA ' ' B' ' 13' ' ' CYS . 9.0 m -96.86 150.52 20.64 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.855 0.836 . . . . 0.0 113.14 -178.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.564 ' NE ' ' OP2' ' A' ' 22' ' ' ' A' . 50.6 mtt180 -145.25 137.16 25.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.921 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -72.1 101.7 2.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.806 0.336 . . . . 0.0 110.796 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . 0.533 HH12 ' N4 ' ' A' ' 37' ' ' ' C' . 12.1 ttm180 -134.61 129.55 35.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.379 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . 0.633 ' C ' ' H ' ' B' ' 10' ' ' ARG . 0.1 OUTLIER 60.33 54.62 3.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 178.894 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.3 -20.47 0.08 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 178.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.633 ' H ' ' C ' ' B' ' 8' ' ' LYS . 2.2 tpp180 -113.48 158.88 20.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.852 0.358 . . . . 0.0 110.451 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.449 ' N ' ' HG3' ' B' ' 10' ' ' ARG . 7.1 ptm180 -92.64 112.61 24.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.419 HD13 ' NH2' ' B' ' 7' ' ' ARG . 2.2 pp -90.94 137.43 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . 0.592 ' HA ' ' O ' ' B' ' 3' ' ' ARG . 0.0 OUTLIER -114.53 151.68 32.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.069 0.462 . . . . 0.0 111.614 -177.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 3.5 tt -126.95 126.27 68.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.272 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.636 ' HE ' HG12 ' B' ' 2' ' ' VAL . 11.0 tpp85 -52.35 114.78 1.46 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.019 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.566 ' O ' ' O ' ' B' ' 1' ' ' ARG . 9.4 mm -129.57 118.06 44.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.582 178.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . 0.46 ' O ' ' CG ' ' B' ' 1' ' ' ARG . 83.4 Cg_endo . . . . . 0 C--N 1.303 -1.847 0 C-N-CA 122.974 2.449 . . . . 0.0 112.015 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.198 0 C4'-C3'-C2' 101.45 -1.25 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ' G' . . . . . 0.448 " O2'" " H5'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.183 0 C1'-O4'-C4' 108.012 -1.765 . 0.974 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ' C' . . . . . 0.488 " O2'" " H5'" ' A' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.146 0 C1'-O4'-C4' 107.779 -2.023 . 0.968 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ' A' . . . . . 0.488 " H5'" " O2'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.442 2.309 0 C1'-O4'-C4' 108.066 -1.704 . 0.962 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ' G' . . . . . 0.684 " O2'" " H5'" ' A' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.271 0 C3'-C2'-C1' 103.005 1.672 . 0.98 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ' A' . . . . . 0.684 " H5'" " O2'" ' A' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.285 0 C3'-C2'-C1' 103.444 2.16 . 0.936 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ' U' . . . . . 1.005 " H4'" ' OP1' ' A' ' 26' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.549 2.301 0 O5'-C5'-C4' 112.053 1.323 . 0.773 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ' C' . . . . . 0.886 ' OP1' " H2'" ' A' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.135 0 C3'-C2'-C1' 103.37 2.077 . 0.01 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ' U' . . . . . 0.886 " H2'" ' OP1' ' A' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.428 -2.12 0 C3'-C2'-C1' 104.566 3.406 . 0.117 5p . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ' G' . . . . . 1.005 ' OP1' " H4'" ' A' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.349 0 C1'-O4'-C4' 107.702 -2.108 . 0.168 6d . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ' A' . . . . . 0.663 " O2'" " H5'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.335 0 C1'-O4'-C4' 107.127 -2.747 . 0.929 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ' G' . . . . . 0.663 " H5'" " O2'" ' A' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.562 0 C1'-O4'-C4' 107.556 -2.271 . 0.864 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ' C' . . . . . 0.643 ' H41' ' NH2' ' B' ' 7' ' ' ARG . . . . . . . . 0 O4'--C4' 1.427 -2.173 0 C1'-O4'-C4' 107.611 -2.21 . 0.93 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.297 0 C1'-O4'-C4' 107.733 -2.074 . 0.973 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ' U' . . . . . 0.826 " O2'" " H5'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.522 0 C3'-C2'-C1' 103.426 2.14 . 0.985 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ' G' . . . . . 0.826 " H5'" " O2'" ' A' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.816 0 O4'-C4'-C3' 107.684 1.56 . 0.925 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ' G' . . . . . 0.632 ' P ' " O2'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.063 0 C3'-C2'-C1' 103.291 1.99 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ' G' . . . . . 0.757 " O2'" " H5'" ' A' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.346 0 C3'-C2'-C1' 104.633 3.481 . 0.402 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ' A' . . . . . 0.757 " H5'" " O2'" ' A' ' 34' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.498 -2.319 1 C4'-C3'-C2' 106.845 4.145 . 0.07 2[ . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ' G' . . . . . 0.512 ' N7 ' ' OP1' ' A' ' 35' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.552 2.516 0 C4'-C3'-C2' 100.968 -1.732 . 0.655 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ' C' . . . . . 0.41 " O2'" " H5'" ' A' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.443 2.379 0 C4'-C3'-C2' 101.004 -1.696 . 0.951 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ' U' . . . . . 0.496 " H2'" " O4'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.445 2.619 0 C4'-C3'-C2' 100.579 -2.121 . 0.949 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ' C' . . . . . 0.587 ' C2 ' ' C2 ' ' A' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.445 2.611 0 C1'-O4'-C4' 107.2 -2.667 . 0.915 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ' U' . . . . . 0.54 " H5'" " O2'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.208 0 O5'-C5'-C4' 112.919 1.942 . 0.937 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.158 0 C4'-C3'-C2' 100.904 -1.796 . 0.978 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.254 0 C4'-C3'-C2' 101.179 -1.521 . 0.986 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.095 0 C4'-C3'-C2' 101.053 -1.647 . 0.99 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ' C' . . . . . 0.469 " O2'" " H5'" ' A' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.213 0 C1'-O4'-C4' 107.94 -1.844 . 0.982 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ' C' . . . . . 0.469 " H5'" " O2'" ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.724 0 C3'-C2'-C1' 104.1 2.889 . 0.977 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ARG . . . . . 0.406 ' N ' ' C ' ' B' ' 17' ' ' DPR . 2.2 mmm-85 . . . . . 0 CA--C 1.529 0.166 0 CA-C-O 120.571 0.224 . . . . 0.0 110.576 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.46 ' HB ' ' SG ' ' B' ' 13' ' ' CYS . 0.1 OUTLIER -102.77 136.8 33.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.362 -179.583 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . 0.768 ' NH2' HH21 ' B' ' 5' ' ' ARG . 3.3 ttm180 -96.19 115.45 27.45 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' CYS . . . . . 0.506 ' HA ' ' O ' ' B' ' 12' ' ' ILE . 0.8 OUTLIER -100.88 150.63 22.64 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 -177.676 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.768 HH21 ' NH2' ' B' ' 3' ' ' ARG . 10.6 mtt180 -140.56 136.06 32.46 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 113.893 -1.503 . . . . 0.0 109.859 178.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.935 ' H ' ' NE2' ' B' ' 6' ' ' GLN . 0.0 OUTLIER -70.2 120.0 15.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.947 0.403 . . . . 0.0 110.791 179.388 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . 0.643 ' NH2' ' H41' ' A' ' 29' ' ' ' C' . 35.4 ttp180 -145.34 122.77 11.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.423 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . 0.57 ' C ' ' H ' ' B' ' 10' ' ' ARG . 14.0 mttp 50.58 55.7 9.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.966 178.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.664 ' N ' ' C5 ' ' A' ' 24' ' ' ' C' . . . 66.65 -20.55 0.19 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.276 -0.73 . . . . 0.0 111.276 178.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.57 ' H ' ' C ' ' B' ' 8' ' ' LYS . 4.9 mmp_? -108.39 142.69 38.37 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.434 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.403 ' O ' " O4'" ' A' ' 34' ' ' ' G' . 3.9 ptm180 -91.63 119.61 31.67 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.506 ' O ' ' HA ' ' B' ' 4' ' ' CYS . 10.4 pt -86.78 132.66 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 178.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . 0.484 ' HA ' ' HA ' ' B' ' 4' ' ' CYS . 0.5 OUTLIER -112.6 148.66 34.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.122 0.487 . . . . 0.0 111.586 -177.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . 0.425 HG13 ' NH2' ' B' ' 5' ' ' ARG . 44.2 mm -124.1 113.2 35.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.313 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.58 125.77 19.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.005 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.69 HD12 ' HB2' ' B' ' 3' ' ' ARG . 63.5 mt -146.09 87.42 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.553 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' DPR . . . . . 0.547 ' C ' ' O ' ' B' ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . 0.424 ' N ' ' O ' ' B' ' 16' ' ' ILE . 93.2 Cg_exo . . . . . 0 C--N 1.302 -1.872 0 C-N-CA 123.017 2.478 . . . . 0.0 112.019 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ' G' . . . . . 0.44 " O2'" " H5'" ' A' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.121 0 C3'-C2'-C1' 102.698 1.331 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ' G' . . . . . 0.513 " O2'" " H5'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.242 0 C1'-O4'-C4' 108.011 -1.766 . 0.975 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ' C' . . . . . 0.539 " O2'" " H5'" ' A' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.22 0 C1'-O4'-C4' 107.855 -1.939 . 0.966 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ' A' . . . . . 0.539 " H5'" " O2'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.443 2.378 0 C1'-O4'-C4' 108.131 -1.632 . 0.943 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ' G' . . . . . 0.635 " O2'" " H5'" ' A' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.206 0 C3'-C2'-C1' 103.06 1.733 . 0.967 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ' A' . . . . . 0.635 " H5'" " O2'" ' A' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.205 0 C3'-C2'-C1' 103.46 2.177 . 0.956 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ' U' . . . . . 0.936 " H4'" ' OP1' ' A' ' 26' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.555 2.824 0 C5'-C4'-C3' 113.585 -1.276 . 0.722 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ' C' . . . . . 0.676 H5'' ' OP2' ' A' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.263 0 C3'-C2'-C1' 103.375 2.084 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ' U' . . . . . 0.67 " H3'" ' OP1' ' A' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.428 -2.098 0 C3'-C2'-C1' 104.592 3.436 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ' G' . . . . . 0.936 ' OP1' " H4'" ' A' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.329 0 C1'-O4'-C4' 107.721 -2.088 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ' A' . . . . . 0.676 ' OP2' H5'' ' A' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.422 0 C1'-O4'-C4' 107.106 -2.771 . 0.931 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ' G' . . . . . 0.562 " H5'" " O2'" ' A' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.565 0 C1'-O4'-C4' 107.623 -2.196 . 0.913 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ' C' . . . . . 0.684 ' H41' ' NH1' ' B' ' 7' ' ' ARG . . . . . . . . 0 O4'--C4' 1.426 -2.217 0 C1'-O4'-C4' 107.573 -2.252 . 0.93 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . 0.492 " O2'" " H5'" ' A' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.341 0 C1'-O4'-C4' 107.755 -2.05 . 0.965 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ' U' . . . . . 0.775 " O2'" " H5'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.504 0 C3'-C2'-C1' 103.505 2.228 . 0.979 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ' G' . . . . . 0.775 " H5'" " O2'" ' A' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.817 0 C3'-C2'-C1' 102.767 1.408 . 0.91 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ' G' . . . . . 0.722 ' P ' " O2'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.046 1 C4'-C3'-C2' 106.829 4.129 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ' G' . . . . . 0.722 " O2'" " H5'" ' A' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.375 0 C3'-C2'-C1' 104.606 3.451 . 0.01 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ' A' . . . . . 0.722 " H5'" " O2'" ' A' ' 34' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.49 -3.135 0 C4'-C3'-C2' 106.438 3.738 . 0.036 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.549 2.272 0 C4'-C3'-C2' 100.932 -1.768 . 0.625 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ' C' . . . . . 0.411 " O2'" " H5'" ' A' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.443 2.426 0 C1'-O4'-C4' 108.155 -1.606 . 0.965 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ' U' . . . . . 0.411 " H5'" " O2'" ' A' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.445 2.602 0 C4'-C3'-C2' 100.418 -2.282 . 0.946 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ' C' . . . . . 0.585 ' C2 ' ' C2 ' ' A' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.444 2.481 0 C1'-O4'-C4' 107.202 -2.665 . 0.921 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ' U' . . . . . 0.404 " H5'" " O2'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.26 0 O5'-C5'-C4' 112.851 1.894 . 0.932 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.165 0 C4'-C3'-C2' 100.929 -1.771 . 0.974 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.138 0 C3'-C2'-C1' 102.82 1.467 . 0.986 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C4'--C3' 1.601 7.045 1 O4'-C4'-C3' 99.323 -4.412 . 0.964 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ' C' . . . . . 0.492 " O2'" " H5'" ' A' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.274 0 C1'-O4'-C4' 107.988 -1.791 . 0.973 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ' C' . . . . . 0.492 " H5'" " O2'" ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.71 0 C3'-C2'-C1' 104.093 2.881 . 0.976 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' B' ' 1' ' ' ARG . 1.9 tpt180 . . . . . 0 CA--C 1.529 0.137 0 CA-C-O 120.594 0.235 . . . . 0.0 110.665 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.506 HG12 ' HA ' ' B' ' 15' ' ' ARG . 2.1 m -103.01 137.74 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 111.333 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . 0.64 ' HB2' HD12 ' B' ' 16' ' ' ILE . 0.0 OUTLIER -96.0 116.08 28.4 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 179.232 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' CYS . . . . . 0.592 ' SG ' ' NH1' ' B' ' 11' ' ' ARG . 1.6 m -94.67 150.84 19.81 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -177.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.561 ' N ' HH21 ' B' ' 3' ' ' ARG . 8.1 ttp180 -143.15 130.7 21.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.453 -1.249 . . . . 0.0 109.894 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.694 ' CD ' ' H ' ' B' ' 6' ' ' GLN . 0.0 OUTLIER -63.73 122.61 16.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.923 0.392 . . . . 0.0 110.807 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . 0.684 ' NH1' ' H41' ' A' ' 29' ' ' ' C' . 2.7 ttp180 -144.71 105.93 4.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.409 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . 0.642 ' C ' ' H ' ' B' ' 10' ' ' ARG . 9.9 mttp 58.61 68.12 0.86 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 178.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.562 ' N ' ' C5 ' ' A' ' 24' ' ' ' C' . . . 62.38 -23.07 0.07 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 178.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.642 ' H ' ' C ' ' B' ' 8' ' ' LYS . 0.0 OUTLIER -115.19 139.58 49.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.803 0.335 . . . . 0.0 110.463 179.729 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.592 ' NH1' ' SG ' ' B' ' 4' ' ' CYS . 32.0 ptt85 -93.86 125.97 38.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.926 -178.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.412 ' O ' ' NH2' ' B' ' 3' ' ' ARG . 28.8 pt -91.0 139.45 17.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 178.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . 0.574 ' HA ' ' HA ' ' B' ' 4' ' ' CYS . 0.0 OUTLIER -112.88 152.3 29.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.071 0.462 . . . . 0.0 111.591 -177.436 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . 0.5 HD12 ' NH1' ' B' ' 3' ' ' ARG . 46.3 mt -124.31 115.75 45.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.224 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.506 ' HA ' HG12 ' B' ' 2' ' ' VAL . 42.5 ttp180 -53.3 127.42 24.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.035 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.64 HD12 ' HB2' ' B' ' 3' ' ' ARG . 67.3 mt -145.66 89.68 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.596 179.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' DPR . . . . . 0.539 ' C ' ' O ' ' B' ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . 0.418 ' N ' ' O ' ' B' ' 16' ' ' ILE . 87.4 Cg_exo . . . . . 0 C--N 1.303 -1.868 0 C-N-CA 122.988 2.459 . . . . 0.0 112.085 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 2.228 0 C3'-C2'-C1' 102.716 1.351 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ' G' . . . . . 0.445 " O2'" " H5'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.244 0 C1'-O4'-C4' 107.994 -1.785 . 0.977 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ' C' . . . . . 0.503 " O2'" " H5'" ' A' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.238 0 C1'-O4'-C4' 107.831 -1.965 . 0.968 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ' A' . . . . . 0.503 " H5'" " O2'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.442 2.349 0 C1'-O4'-C4' 108.02 -1.755 . 0.956 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ' G' . . . . . 0.618 " O2'" " H5'" ' A' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.202 0 C1'-O4'-C4' 108.035 -1.739 . 0.974 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ' A' . . . . . 0.65 ' N7 ' ' NH1' ' B' ' 5' ' ' ARG . . . . . . . . 0 O4'--C4' 1.425 -2.311 0 C3'-C2'-C1' 103.476 2.196 . 0.953 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ' U' . . . . . 1.027 " H4'" ' OP1' ' A' ' 26' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.012 0 O4'-C4'-C3' 107.356 1.326 . 0.702 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ' C' . . . . . 0.919 ' OP1' H5'' ' A' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.426 -2.234 0 C3'-C2'-C1' 103.43 2.144 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ' U' . . . . . 0.919 H5'' ' OP1' ' A' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.152 0 C3'-C2'-C1' 104.615 3.461 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ' G' . . . . . 1.027 ' OP1' " H4'" ' A' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.475 0 C1'-O4'-C4' 107.696 -2.116 . 0.428 6d . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ' A' . . . . . 0.681 ' OP2' H5'' ' A' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.466 0 C1'-O4'-C4' 107.096 -2.782 . 0.935 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ' G' . . . . . 0.615 " H5'" " O2'" ' A' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.502 0 C1'-O4'-C4' 107.606 -2.216 . 0.879 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ' C' . . . . . 0.556 " H5'" " O2'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.211 0 C1'-O4'-C4' 107.541 -2.287 . 0.932 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . 0.445 " O2'" " H5'" ' A' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.426 -2.218 0 C1'-O4'-C4' 107.736 -2.071 . 0.969 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ' U' . . . . . 0.847 " O2'" " H5'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.521 0 C3'-C2'-C1' 103.543 2.27 . 0.983 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ' G' . . . . . 0.847 " H5'" " O2'" ' A' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.874 0 O4'-C4'-C3' 107.705 1.575 . 0.914 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ' G' . . . . . 0.597 ' P ' " O2'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.094 0 C3'-C2'-C1' 103.28 1.978 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ' G' . . . . . 0.764 " O2'" " H5'" ' A' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.373 0 C3'-C2'-C1' 104.675 3.528 . 0.432 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ' A' . . . . . 0.764 " H5'" " O2'" ' A' ' 34' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.491 -3.009 0 C4'-C3'-C2' 106.362 3.662 . 0.047 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.443 2.376 0 C4'-C3'-C2' 101.243 -1.457 . 0.686 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 2.358 0 C4'-C3'-C2' 100.977 -1.723 . 0.978 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ' U' . . . . . 0.498 " H2'" " O4'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.445 2.612 0 C4'-C3'-C2' 100.544 -2.156 . 0.947 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ' C' . . . . . 0.528 ' C2 ' ' C2 ' ' A' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.445 2.584 0 C1'-O4'-C4' 107.177 -2.692 . 0.902 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ' U' . . . . . 0.495 " H5'" " O2'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.24 0 O5'-C5'-C4' 112.922 1.944 . 0.927 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.549 2.282 0 C4'-C3'-C2' 100.773 -1.927 . 0.974 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.125 0 C4'-C3'-C2' 101.065 -1.635 . 0.983 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.167 0 C4'-C3'-C2' 100.901 -1.799 . 0.989 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ' C' . . . . . 0.455 " O2'" " H5'" ' A' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.214 0 C1'-O4'-C4' 107.885 -1.906 . 0.982 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ' C' . . . . . 0.455 " H5'" " O2'" ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.709 0 C3'-C2'-C1' 104.074 2.859 . 0.981 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 17.3 ttp85 . . . . . 0 CA--C 1.53 0.178 0 CA-C-O 120.516 0.198 . . . . 0.0 110.642 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.492 HG12 ' HA ' ' B' ' 15' ' ' ARG . 0.9 OUTLIER -103.21 138.64 26.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 120.815 0.341 . . . . 0.0 111.355 -179.727 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . 0.516 ' CD ' ' OP1' ' A' ' 21' ' ' ' G' . 4.3 ttt-85 -94.88 112.26 23.99 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' CYS . . . . . 0.568 ' HA ' ' HA ' ' B' ' 13' ' ' CYS . 1.3 m -92.48 147.97 22.47 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 121.65 0.738 . . . . 0.0 112.909 -178.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.65 ' NH1' ' N7 ' ' A' ' 22' ' ' ' A' . 1.9 ttm180 -142.38 133.54 26.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.879 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 20.8 tm0? -65.86 117.46 8.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.926 0.393 . . . . 0.0 110.748 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . 0.687 ' CZ ' HD13 ' B' ' 12' ' ' ILE . 16.3 ttm180 -144.96 114.72 7.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.43 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . 0.631 ' C ' ' H ' ' B' ' 10' ' ' ARG . 14.2 mttm 59.87 62.49 1.67 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 178.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.576 ' N ' ' C5 ' ' A' ' 24' ' ' ' C' . . . 63.08 -22.59 0.08 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 178.233 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.725 HH11 ' N2 ' ' A' ' 32' ' ' ' G' . 7.0 tpp85 -115.22 145.61 42.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.812 0.339 . . . . 0.0 110.412 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.47 ' HA ' ' O ' ' B' ' 5' ' ' ARG . 26.2 ptt180 -92.4 123.18 35.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.004 -178.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.687 HD13 ' CZ ' ' B' ' 7' ' ' ARG . 5.4 pt -89.92 138.91 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 178.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . 0.568 ' HA ' ' HA ' ' B' ' 4' ' ' CYS . 0.1 OUTLIER -111.23 146.35 37.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.164 0.507 . . . . 0.0 111.549 -177.275 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . 0.419 HG13 HH12 ' B' ' 3' ' ' ARG . 46.8 mm -120.54 115.18 46.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.34 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.492 ' HA ' HG12 ' B' ' 2' ' ' VAL . 3.3 ptm85 -47.52 124.5 7.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.998 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.559 HG22 ' O ' ' B' ' 16' ' ' ILE . 5.5 mm -141.25 83.21 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.561 179.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' DPR . . . . . 0.534 ' C ' ' O ' ' B' ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo . . . . . 0 C--N 1.303 -1.819 0 C-N-CA 122.987 2.458 . . . . 0.0 112.045 179.719 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.182 0 C4'-C3'-C2' 101.481 -1.219 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ' G' . . . . . 0.463 " O2'" " H5'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.24 0 C1'-O4'-C4' 108.03 -1.744 . 0.975 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ' C' . . . . . 0.507 " O2'" " H5'" ' A' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.211 0 C1'-O4'-C4' 107.76 -2.044 . 0.965 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ' A' . . . . . 0.507 " H5'" " O2'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.442 2.354 0 C1'-O4'-C4' 108.091 -1.677 . 0.954 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ' G' . . . . . 0.623 " O2'" " H5'" ' A' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.441 2.251 0 C1'-O4'-C4' 108.046 -1.727 . 0.968 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ' A' . . . . . 0.654 ' N7 ' ' NH1' ' B' ' 5' ' ' ARG . . . . . . . . 0 O4'--C4' 1.427 -2.165 0 C3'-C2'-C1' 103.446 2.162 . 0.956 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ' U' . . . . . 1.054 " H4'" ' OP1' ' A' ' 26' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.554 2.757 0 O5'-C5'-C4' 111.996 1.283 . 0.753 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ' C' . . . . . 0.986 ' OP1' " H2'" ' A' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.151 0 C3'-C2'-C1' 103.369 2.077 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ' U' . . . . . 0.986 " H2'" ' OP1' ' A' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.428 -2.104 0 C3'-C2'-C1' 104.605 3.45 . 0.082 5p . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ' G' . . . . . 1.054 ' OP1' " H4'" ' A' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.366 0 C1'-O4'-C4' 107.742 -2.065 . 0.126 6d . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ' A' . . . . . 0.702 ' OP2' H5'' ' A' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.517 0 C1'-O4'-C4' 107.2 -2.667 . 0.95 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ' G' . . . . . 0.671 " H5'" " O2'" ' A' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 C1'-O4'-C4' 107.577 -2.248 . 0.886 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ' C' . . . . . 0.647 " H5'" " O2'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.268 0 C1'-O4'-C4' 107.645 -2.172 . 0.909 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . 0.412 " H5'" " O2'" ' A' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.241 0 C1'-O4'-C4' 107.722 -2.086 . 0.956 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ' U' . . . . . 0.808 " O2'" " H5'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.577 0 C3'-C2'-C1' 103.508 2.232 . 0.987 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ' G' . . . . . 0.808 " H5'" " O2'" ' A' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.432 -1.76 0 O4'-C4'-C3' 107.57 1.479 . 0.936 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ' G' . . . . . 0.649 ' P ' " O2'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.134 0 C3'-C2'-C1' 103.256 1.952 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ' G' . . . . . 0.538 " H2'" ' N7 ' ' A' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.426 0 C3'-C2'-C1' 104.714 3.572 . 0.79 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ' A' . . . . . 0.538 ' N7 ' " H2'" ' A' ' 34' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.501 -2.053 0 C4'-C3'-C2' 105.883 3.183 . 0.039 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.55 2.395 0 C4'-C3'-C2' 100.961 -1.739 . 0.689 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ' C' . . . . . 0.685 ' N4 ' HH12 ' B' ' 7' ' ' ARG . . . . . . . . 0 O4'--C1' 1.444 2.46 0 C4'-C3'-C2' 100.907 -1.793 . 0.938 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ' U' . . . . . 0.45 " H2'" " O4'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.445 2.587 0 C4'-C3'-C2' 100.141 -2.559 . 0.953 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ' C' . . . . . 0.589 ' C2 ' ' C2 ' ' A' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.445 2.562 0 C1'-O4'-C4' 107.196 -2.671 . 0.919 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ' U' . . . . . 0.53 ' O2 ' ' C2 ' ' A' ' 26' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.441 2.252 0 O5'-C5'-C4' 112.855 1.896 . 0.932 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.547 2.132 0 C4'-C3'-C2' 100.783 -1.917 . 0.972 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.193 0 C4'-C3'-C2' 101.012 -1.688 . 0.983 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.181 0 C4'-C3'-C2' 101.171 -1.529 . 0.989 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ' C' . . . . . 0.499 " O2'" " H5'" ' A' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.316 0 C1'-O4'-C4' 107.996 -1.782 . 0.98 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ' C' . . . . . 0.499 " H5'" " O2'" ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.816 0 C3'-C2'-C1' 104.108 2.898 . 0.975 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ARG . . . . . 0.578 ' O ' ' O ' ' B' ' 16' ' ' ILE . 21.7 ttp85 . . . . . 0 CA--C 1.531 0.214 0 CA-C-O 120.54 0.209 . . . . 0.0 110.606 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.658 HG12 ' HA ' ' B' ' 15' ' ' ARG . 15.7 m -125.51 136.09 61.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.387 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . 0.434 ' O ' ' HA ' ' B' ' 13' ' ' CYS . 4.9 ttt85 -98.4 132.28 43.99 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 177.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' CYS . . . . . 0.7 ' HA ' ' O ' ' B' ' 12' ' ' ILE . 23.2 m -105.34 146.07 29.89 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 122.104 0.954 . . . . 0.0 113.513 -177.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.654 ' NH1' ' N7 ' ' A' ' 22' ' ' ' A' . 1.7 ttm180 -135.84 137.47 41.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.33 -1.304 . . . . 0.0 109.835 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -70.35 121.54 17.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.883 0.373 . . . . 0.0 110.78 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . 0.685 HH12 ' N4 ' ' A' ' 37' ' ' ' C' . 0.0 OUTLIER -143.48 138.04 28.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.466 179.846 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . 0.487 ' HZ3' ' HG2' ' B' ' 7' ' ' ARG . 20.5 mmtm 36.65 45.12 0.37 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 77.03 -21.24 2.72 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.604 ' N ' ' O ' ' B' ' 7' ' ' ARG . 0.0 OUTLIER -104.09 139.8 38.67 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.462 179.777 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.451 ' CG ' ' O ' ' B' ' 11' ' ' ARG . 7.3 ptm180 -88.6 118.59 28.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.958 -179.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.7 ' O ' ' HA ' ' B' ' 4' ' ' CYS . 16.2 pt -86.41 130.77 36.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . 0.483 ' HA ' ' HA ' ' B' ' 4' ' ' CYS . 74.7 m -111.86 100.71 9.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.139 0.495 . . . . 0.0 111.583 -178.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . 0.446 ' O ' HG13 ' B' ' 16' ' ' ILE . 36.2 mt -81.78 127.15 39.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.273 -178.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.658 ' HA ' HG12 ' B' ' 2' ' ' VAL . 6.2 tpt180 -69.38 115.42 8.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.933 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.751 ' O ' HD12 ' B' ' 16' ' ' ILE . 1.6 pp -141.73 158.18 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.586 179.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' DPR . . . . . 0.612 ' O ' ' NH2' ' B' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo . . . . . 0 C--N 1.304 -1.811 0 C-N-CA 123.035 2.49 . . . . 0.0 112.049 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.191 0 C3'-C2'-C1' 102.602 1.224 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ' G' . . . . . 0.474 " O2'" " H5'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.199 0 C1'-O4'-C4' 108.025 -1.75 . 0.975 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ' C' . . . . . 0.501 " O2'" " H5'" ' A' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.216 0 C1'-O4'-C4' 107.843 -1.953 . 0.964 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ' A' . . . . . 0.501 " H5'" " O2'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.442 2.335 0 C1'-O4'-C4' 107.999 -1.779 . 0.956 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ' G' . . . . . 0.6 " O2'" " H5'" ' A' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.228 0 C3'-C2'-C1' 103.065 1.739 . 0.982 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ' A' . . . . . 0.614 ' OP2' ' NE ' ' B' ' 5' ' ' ARG . . . . . . . . 0 O4'--C4' 1.427 -2.206 0 C3'-C2'-C1' 103.416 2.129 . 0.965 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ' U' . . . . . 0.996 " H4'" ' OP1' ' A' ' 26' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.557 3.028 0 O5'-C5'-C4' 111.963 1.259 . 0.697 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ' C' . . . . . 0.885 ' OP1' " H2'" ' A' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.428 -2.105 0 C3'-C2'-C1' 103.342 2.046 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ' U' . . . . . 0.885 " H2'" ' OP1' ' A' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.429 -2.037 0 C3'-C2'-C1' 104.598 3.443 . 0.129 5p . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ' G' . . . . . 0.996 ' OP1' " H4'" ' A' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.418 0 C1'-O4'-C4' 107.78 -2.022 . 0.123 6d . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ' A' . . . . . 0.67 " O2'" " H5'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.386 0 C1'-O4'-C4' 107.058 -2.825 . 0.928 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ' G' . . . . . 0.676 ' C8 ' ' NZ ' ' B' ' 8' ' ' LYS . . . . . . . . 0 O4'--C4' 1.422 -2.594 0 C1'-O4'-C4' 107.63 -2.189 . 0.871 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ' C' . . . . . 0.639 " H5'" " O2'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.384 0 C1'-O4'-C4' 107.652 -2.164 . 0.912 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . 0.421 " H5'" " O2'" ' A' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.178 0 C1'-O4'-C4' 107.694 -2.118 . 0.95 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ' U' . . . . . 0.811 " O2'" " H5'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.561 0 C3'-C2'-C1' 103.549 2.277 . 0.988 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ' G' . . . . . 0.811 " H5'" " O2'" ' A' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.432 -1.77 0 O4'-C4'-C3' 107.512 1.437 . 0.935 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ' G' . . . . . 0.645 ' P ' " O2'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.075 0 C3'-C2'-C1' 103.246 1.94 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ' G' . . . . . 0.716 " O2'" " H5'" ' A' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.448 0 C3'-C2'-C1' 104.634 3.483 . 0.831 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ' A' . . . . . 0.716 " H5'" " O2'" ' A' ' 34' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 1.964 0 C3'-C2'-C1' 104.142 2.935 . 0.058 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 2.335 0 C4'-C3'-C2' 100.987 -1.713 . 0.724 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ' C' . . . . . 0.414 " O2'" " H5'" ' A' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.444 2.459 0 C4'-C3'-C2' 100.978 -1.722 . 0.973 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ' U' . . . . . 0.492 " H2'" " O4'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.445 2.544 0 C4'-C3'-C2' 100.342 -2.358 . 0.938 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ' C' . . . . . 0.6 ' C2 ' ' C2 ' ' A' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.443 2.446 0 C1'-O4'-C4' 107.157 -2.714 . 0.911 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ' U' . . . . . 0.524 " H5'" " O2'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.286 0 O5'-C5'-C4' 112.973 1.98 . 0.934 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 2.247 0 C4'-C3'-C2' 100.848 -1.852 . 0.97 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.218 0 C4'-C3'-C2' 101.159 -1.541 . 0.984 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.162 0 C4'-C3'-C2' 100.937 -1.763 . 0.986 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ' C' . . . . . 0.466 " O2'" " H5'" ' A' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.334 0 C1'-O4'-C4' 107.945 -1.839 . 0.98 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ' C' . . . . . 0.466 " H5'" " O2'" ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.646 0 C3'-C2'-C1' 104.041 2.823 . 0.977 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' B' ' 16' ' ' ILE . 5.6 ttm-85 . . . . . 0 CA--C 1.529 0.154 0 CA-C-O 120.577 0.227 . . . . 0.0 110.663 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.499 HG21 ' H21' ' A' ' 34' ' ' ' G' . 0.8 OUTLIER -104.67 138.37 29.72 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 120.793 0.33 . . . . 0.0 111.385 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . 0.749 HH21 ' NH2' ' B' ' 5' ' ' ARG . 18.9 ttp-105 -95.53 114.9 26.71 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' CYS . . . . . 0.546 ' HA ' ' HA ' ' B' ' 13' ' ' CYS . 1.3 m -95.68 150.53 20.27 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 122.457 1.122 . . . . 0.0 113.819 -178.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.749 ' NH2' HH21 ' B' ' 3' ' ' ARG . 93.4 mtt180 -143.8 137.36 27.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.009 -1.45 . . . . 0.0 109.892 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -76.34 101.82 5.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.984 0.421 . . . . 0.0 110.742 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . 0.553 ' O ' ' O ' ' B' ' 10' ' ' ARG . 6.7 ttp180 -137.57 138.42 39.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.441 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . 0.676 ' NZ ' ' C8 ' ' A' ' 28' ' ' ' G' . 0.1 OUTLIER 58.36 47.8 13.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.608 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.83 -15.22 0.12 Allowed Glycine 0 CA--C 1.527 0.8 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.588 ' H ' ' C ' ' B' ' 8' ' ' LYS . 0.1 OUTLIER -115.67 160.72 19.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.859 0.361 . . . . 0.0 110.452 179.804 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.46 ' N ' ' HG3' ' B' ' 10' ' ' ARG . 4.5 ptm180 -93.63 112.29 24.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 28.5 pt -89.02 135.04 26.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.798 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . 0.546 ' HA ' ' HA ' ' B' ' 4' ' ' CYS . 0.0 OUTLIER -113.13 149.71 33.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.093 0.473 . . . . 0.0 111.646 -177.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 5.2 mp -126.76 117.85 49.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.322 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.55 ' CD ' ' N ' ' B' ' 15' ' ' ARG . 0.0 OUTLIER -45.84 133.18 8.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.98 -179.791 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.654 HG22 ' O ' ' B' ' 16' ' ' ILE . 15.0 mm -149.64 83.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.506 179.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' DPR . . . . . 0.53 ' C ' ' O ' ' B' ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo . . . . . 0 C--N 1.303 -1.861 0 C-N-CA 123.044 2.496 . . . . 0.0 111.984 179.717 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.087 0 C3'-C2'-C1' 102.654 1.282 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ' G' . . . . . 0.451 " O2'" " H5'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.216 0 C1'-O4'-C4' 108.095 -1.673 . 0.979 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ' C' . . . . . 0.491 " O2'" " H5'" ' A' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.271 0 C1'-O4'-C4' 107.876 -1.916 . 0.967 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ' A' . . . . . 0.511 ' OP1' ' CG2' ' B' ' 16' ' ' ILE . . . . . . . . 0 O4'--C1' 1.443 2.387 0 C1'-O4'-C4' 107.997 -1.781 . 0.959 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ' G' . . . . . 0.581 " O2'" " H5'" ' A' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.186 0 C3'-C2'-C1' 103.024 1.693 . 0.97 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ' A' . . . . . 0.581 " H5'" " O2'" ' A' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.252 0 C3'-C2'-C1' 103.43 2.144 . 0.961 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ' U' . . . . . 0.905 " H4'" ' OP1' ' A' ' 26' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.561 3.34 0 O5'-C5'-C4' 112.037 1.312 . 0.763 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ' C' . . . . . 0.791 ' OP1' " H2'" ' A' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.426 -2.244 0 C3'-C2'-C1' 103.415 2.128 . 0.01 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ' U' . . . . . 0.791 " H2'" ' OP1' ' A' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.139 0 C3'-C2'-C1' 104.522 3.358 . 0.078 5p . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ' G' . . . . . 0.905 ' OP1' " H4'" ' A' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.413 0 C1'-O4'-C4' 107.75 -2.056 . 0.243 6d . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ' A' . . . . . 0.634 " O2'" " H5'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.359 0 C1'-O4'-C4' 107.182 -2.686 . 0.933 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ' G' . . . . . 0.634 " H5'" " O2'" ' A' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.519 0 C1'-O4'-C4' 107.594 -2.229 . 0.905 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ' C' . . . . . 0.604 " H5'" " O2'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.268 0 C1'-O4'-C4' 107.681 -2.132 . 0.922 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . 0.43 " H5'" " O2'" ' A' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.273 0 C1'-O4'-C4' 107.73 -2.077 . 0.96 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ' U' . . . . . 0.809 " O2'" " H5'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 C3'-C2'-C1' 103.556 2.285 . 0.988 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ' G' . . . . . 0.809 " H5'" " O2'" ' A' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.432 -1.764 0 O4'-C4'-C3' 107.506 1.433 . 0.934 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ' G' . . . . . 0.665 ' P ' " O2'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.052 0 C3'-C2'-C1' 103.279 1.976 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ' G' . . . . . 0.856 " O2'" " H5'" ' A' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.348 0 C3'-C2'-C1' 104.683 3.536 . 0.84 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ' A' . . . . . 0.856 " H5'" " O2'" ' A' ' 34' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.501 -2.055 0 C3'-C2'-C1' 104.21 3.011 . 0.093 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ' G' . . . . . 0.418 ' OP2' ' O ' ' B' ' 13' ' ' CYS . . . . . . . . 0 O4'--C1' 1.442 2.313 0 C4'-C3'-C2' 101.134 -1.566 . 0.713 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ' C' . . . . . 0.442 ' H42' HH12 ' B' ' 7' ' ' ARG . . . . . . . . 0 O4'--C1' 1.443 2.4 0 C1'-O4'-C4' 108.083 -1.685 . 0.947 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ' U' . . . . . 0.418 " H5'" " O2'" ' A' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.446 2.663 0 C4'-C3'-C2' 100.538 -2.162 . 0.933 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ' C' . . . . . 0.469 " O2'" " H5'" ' A' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.444 2.518 0 C1'-O4'-C4' 107.152 -2.72 . 0.926 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ' U' . . . . . 0.469 " H5'" " O2'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.272 0 O5'-C5'-C4' 112.883 1.916 . 0.939 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.109 0 C4'-C3'-C2' 100.999 -1.701 . 0.971 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.201 0 C4'-C3'-C2' 101.137 -1.563 . 0.986 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.16 0 C4'-C3'-C2' 100.916 -1.784 . 0.99 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ' C' . . . . . 0.486 " O2'" " H5'" ' A' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.313 0 C1'-O4'-C4' 107.935 -1.85 . 0.979 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ' C' . . . . . 0.486 " H5'" " O2'" ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.588 0 C3'-C2'-C1' 104.06 2.845 . 0.974 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ARG . . . . . 0.563 ' O ' ' O ' ' B' ' 16' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.153 0 CA-C-O 120.572 0.225 . . . . 0.0 110.701 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -109.1 135.27 48.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.402 -179.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . 0.627 ' O ' ' HA ' ' B' ' 13' ' ' CYS . 13.5 ttt-85 -98.62 131.51 44.75 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.204 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' CYS . . . . . 0.503 ' HA ' ' HA ' ' B' ' 13' ' ' CYS . 1.7 m -102.74 152.15 21.57 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 -178.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.742 HH21 HD11 ' B' ' 12' ' ' ILE . 12.4 ttp180 -140.99 129.35 22.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.619 -1.173 . . . . 0.0 109.907 179.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 41.9 tp60 -65.52 115.92 6.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.844 0.354 . . . . 0.0 110.721 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . 0.683 ' CZ ' HD13 ' B' ' 12' ' ' ILE . 9.4 ttm180 -144.34 115.1 7.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.444 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . 0.651 ' C ' ' H ' ' B' ' 10' ' ' ARG . 7.4 mttp 60.31 64.13 1.27 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 178.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.402 ' HA2' ' C4 ' ' A' ' 24' ' ' ' C' . . . 62.52 -22.88 0.07 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.321 -0.712 . . . . 0.0 111.321 177.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.651 ' H ' ' C ' ' B' ' 8' ' ' LYS . 4.2 mmt-85 -116.5 145.67 43.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.809 0.338 . . . . 0.0 110.439 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.486 ' HA ' ' O ' ' B' ' 5' ' ' ARG . 29.5 ptt180 -94.02 123.51 37.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.979 -179.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.742 HD11 HH21 ' B' ' 5' ' ' ARG . 14.9 pt -89.84 139.21 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.13 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . 0.627 ' HA ' ' O ' ' B' ' 3' ' ' ARG . 0.1 OUTLIER -114.21 149.3 36.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.121 0.486 . . . . 0.0 111.54 -177.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . 0.423 ' O ' HG12 ' B' ' 16' ' ' ILE . 0.9 OUTLIER -128.37 131.2 69.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.255 178.744 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.19 116.42 9.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.007 -178.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.563 ' O ' ' O ' ' B' ' 1' ' ' ARG . 0.1 OUTLIER -151.66 166.18 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.616 177.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' DPR . . . . . 0.421 ' C ' ' O ' ' B' ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . 0.416 ' O ' ' CB ' ' B' ' 1' ' ' ARG . 88.4 Cg_endo . . . . . 0 C--N 1.303 -1.841 0 C-N-CA 123.012 2.474 . . . . 0.0 112.025 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ' G' . . . . . 0.411 " O2'" " H5'" ' A' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.192 0 C3'-C2'-C1' 102.656 1.284 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ' G' . . . . . 0.468 " O2'" " H5'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.286 0 C1'-O4'-C4' 108.068 -1.702 . 0.974 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ' C' . . . . . 0.496 " O2'" " H5'" ' A' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.247 0 C1'-O4'-C4' 107.813 -1.986 . 0.964 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ' A' . . . . . 0.496 " H5'" " O2'" ' A' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.442 2.349 0 C1'-O4'-C4' 108.063 -1.708 . 0.954 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ' G' . . . . . 0.619 " O2'" " H5'" ' A' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.44 2.153 0 C3'-C2'-C1' 103.074 1.749 . 0.968 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ' A' . . . . . 0.649 ' N7 ' ' NH1' ' B' ' 5' ' ' ARG . . . . . . . . 0 O4'--C4' 1.428 -2.125 0 C3'-C2'-C1' 103.464 2.182 . 0.956 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ' U' . . . . . 0.937 " H4'" ' OP1' ' A' ' 26' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.551 2.457 0 C5'-C4'-C3' 113.007 -1.662 . 0.64 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ' C' . . . . . 0.93 H5'' ' OP2' ' A' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.195 0 C4'-C3'-C2' 106.687 3.987 OUTLIER-DELTA 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ' U' . . . . . 0.93 ' OP2' H5'' ' A' ' 24' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.56 3.302 0 C4'-C3'-C2' 106.363 3.663 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ' G' . . . . . 0.937 ' OP1' " H4'" ' A' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.402 0 C1'-O4'-C4' 107.792 -2.009 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ' A' . . . . . 0.666 " O2'" " H5'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.448 0 C1'-O4'-C4' 107.083 -2.797 . 0.944 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ' G' . . . . . 0.666 " H5'" " O2'" ' A' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.448 0 C1'-O4'-C4' 107.58 -2.245 . 0.854 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ' C' . . . . . 0.607 " H5'" " O2'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.237 0 C1'-O4'-C4' 107.566 -2.26 . 0.925 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . 0.41 ' C4 ' ' C5 ' ' A' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.426 -2.277 0 C1'-O4'-C4' 107.737 -2.07 . 0.959 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ' U' . . . . . 0.813 " O2'" " H5'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C3'-C2'-C1' 103.432 2.147 . 0.987 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ' G' . . . . . 0.813 " H5'" " O2'" ' A' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.432 -1.788 0 C3'-C2'-C1' 102.814 1.46 . 0.934 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ' G' . . . . . 0.646 ' P ' " O2'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.123 0 C3'-C2'-C1' 103.196 1.884 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ' G' . . . . . 0.739 " O2'" " H5'" ' A' ' 35' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.366 0 C3'-C2'-C1' 104.595 3.439 . 0.803 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ' A' . . . . . 0.739 " H5'" " O2'" ' A' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.43 -1.905 0 C3'-C2'-C1' 104.153 2.947 . 0.047 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 2.334 0 C4'-C3'-C2' 101.125 -1.575 . 0.72 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ' C' . . . . . 0.417 " O2'" " H5'" ' A' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.443 2.394 0 C1'-O4'-C4' 108.095 -1.673 . 0.973 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ' U' . . . . . 0.435 " H2'" " O4'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.446 2.638 0 C1'-O4'-C4' 108.043 -1.73 . 0.942 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ' C' . . . . . 0.564 " O2'" " H5'" ' A' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.444 2.523 0 C1'-O4'-C4' 107.176 -2.693 . 0.923 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ' U' . . . . . 0.564 " H5'" " O2'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.23 0 O5'-C5'-C4' 112.889 1.921 . 0.951 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.551 2.45 0 C4'-C3'-C2' 100.685 -2.015 . 0.978 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.109 0 C4'-C3'-C2' 100.98 -1.72 . 0.982 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.138 0 O4'-C4'-C3' 103.174 -1.662 . 0.984 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ' C' . . . . . 0.488 " O2'" " H5'" ' A' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.244 0 C1'-O4'-C4' 108.005 -1.772 . 0.978 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ' C' . . . . . 0.488 " H5'" " O2'" ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.696 0 C3'-C2'-C1' 104.104 2.893 . 0.977 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ARG . . . . . 0.481 ' CG ' HH11 ' B' ' 1' ' ' ARG . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.168 0 CA-C-O 120.652 0.263 . . . . 0.0 110.557 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.53 HG21 ' H21' ' A' ' 34' ' ' ' G' . 1.3 m -101.84 138.22 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 120.859 0.361 . . . . 0.0 111.372 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . 0.728 HH12 HD12 ' B' ' 14' ' ' ILE . 8.7 ttt-85 -94.26 113.86 25.85 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' CYS . . . . . 0.561 ' HA ' ' HA ' ' B' ' 13' ' ' CYS . 1.4 m -94.64 149.28 21.41 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -178.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.649 ' NH1' ' N7 ' ' A' ' 22' ' ' ' A' . 0.0 OUTLIER -143.23 132.51 23.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.691 -1.14 . . . . 0.0 109.854 179.749 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.608 HE22 ' CA ' ' B' ' 9' ' ' GLY . 2.8 tm0? -67.11 119.75 12.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.964 0.411 . . . . 0.0 110.735 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . 0.782 ' HE ' HG21 ' B' ' 12' ' ' ILE . 58.7 ttp85 -145.62 114.02 6.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.424 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . 0.631 ' C ' ' H ' ' B' ' 10' ' ' ARG . 22.6 mttm 58.33 62.55 1.96 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.937 178.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.608 ' CA ' HE22 ' B' ' 6' ' ' GLN . . . 62.71 -21.79 0.07 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.371 -0.692 . . . . 0.0 111.371 178.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.631 ' H ' ' C ' ' B' ' 8' ' ' LYS . 0.0 OUTLIER -113.11 142.27 45.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.835 0.35 . . . . 0.0 110.465 179.682 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.444 ' HA ' ' O ' ' B' ' 5' ' ' ARG . 10.1 ptm180 -92.7 121.93 34.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.941 -179.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.782 HG21 ' HE ' ' B' ' 7' ' ' ARG . 11.7 pt -89.81 137.92 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 178.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . 0.624 ' H ' " H5'" ' A' ' 35' ' ' ' A' . 0.0 OUTLIER -112.98 149.95 32.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.12 0.486 . . . . 0.0 111.618 -177.812 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . 0.728 HD12 HH12 ' B' ' 3' ' ' ARG . 81.3 mt -124.14 115.99 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.313 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.507 ' HA ' HG12 ' B' ' 2' ' ' VAL . 0.0 OUTLIER -48.61 123.58 6.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.969 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.53 ' O ' ' C ' ' B' ' 17' ' ' DPR . 5.4 mm -139.53 84.35 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.58 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' DPR . . . . . 0.53 ' C ' ' O ' ' B' ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo . . . . . 0 C--N 1.304 -1.811 0 C-N-CA 122.999 2.466 . . . . 0.0 111.978 179.974 . . . . . . . . 0 0 . 1 stop_ save_