data_5uzz_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 5uzz _Structure_validation_residue.Date_analyzed 2017-06-09 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 . . . . . . . . . . . . . 2.4 ptp180 . . . . . 0 N--CA 1.467 0.4 0 CA-C-O 121.031 0.443 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.4 p -114.44 102.78 14.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.128 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . 0.477 ' O ' ' N ' ' B' ' 10' ' ' ILE . 32.9 mtp180 -85.98 154.76 21.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' B' ' 8' ' ' ARG . 0.1 OUTLIER -126.11 120.6 30.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.519 179.88 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.52 ' O ' ' N ' ' B' ' 8' ' ' ARG . 37.1 mtm105 -115.64 136.64 52.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.975 -179.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' B' ' 5' ' ' ARG . . . 35.8 49.26 1.05 Allowed Glycine 0 N--CA 1.475 1.245 0 N-CA-C 110.429 -1.068 . . . . 0.0 110.429 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm 62.22 42.24 9.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.736 0.303 . . . . 0.0 110.61 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' B' ' 5' ' ' ARG . 88.9 mtt-85 -133.32 133.51 42.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.829 179.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . 0.41 HH21 ' HD2' ' B' ' 9' ' ' ARG . 0.2 OUTLIER -75.97 122.75 24.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.042 0.448 . . . . 0.0 110.971 -178.198 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.477 ' N ' ' O ' ' B' ' 3' ' ' ARG . 4.5 mm -120.25 120.05 61.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.458 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -95.27 114.59 26.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.599 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? . . . . . 0 C--N 1.333 -0.145 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.402 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' ARG . . . . . 0.413 HH21 ' HD3' ' B' ' 1' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.242 0.684 0 CA-C-O 121.397 0.618 . . . . 0.0 111.043 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.4 t -119.47 98.84 6.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.478 177.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . 0.796 HH21 ' H ' ' B' ' 4' ' ' THR . 0.0 OUTLIER -84.25 154.93 22.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.726 -179.191 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' THR . . . . . 0.796 ' H ' HH21 ' B' ' 3' ' ' ARG . 6.4 p -118.52 94.56 4.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.465 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.564 ' O ' ' N ' ' B' ' 8' ' ' ARG . 26.8 mmt-85 -93.87 126.89 39.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.61 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' GLY . . . . . 0.491 ' C ' ' O ' ' B' ' 5' ' ' ARG . . . 32.35 58.3 0.41 Allowed Glycine 0 N--CA 1.477 1.423 0 N-CA-C 110.241 -1.144 . . . . 0.0 110.241 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 17.9 mttm 57.27 42.9 24.48 Favored 'General case' 0 N--CA 1.462 0.137 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.547 -179.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.564 ' N ' ' O ' ' B' ' 5' ' ' ARG . 9.3 ttt180 -133.5 131.84 40.3 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . 0.4 ' HG2' HH21 ' B' ' 9' ' ' ARG . 3.1 tpp85 -77.3 112.18 13.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.769 -178.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mm -100.79 110.41 27.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.437 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 17.2 ptt85 -94.63 96.72 9.61 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.35 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 42.6 mtm180 . . . . . 0 C--O 1.235 0.328 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.159 179.879 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' ARG . . . . . 0.68 ' CZ ' ' H ' ' B' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.899 0.38 . . . . 0.0 110.119 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.68 ' H ' ' CZ ' ' B' ' 1' ' ' ARG . 6.8 m -115.44 92.95 2.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.226 178.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . 0.69 ' NH2' ' NH1' ' B' ' 12' ' ' ARG . 8.3 mtp180 -83.88 156.61 22.32 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 120.974 0.416 . . . . 0.0 110.451 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' THR . . . . . 0.542 ' O ' ' CG2' ' B' ' 4' ' ' THR . 13.0 t -129.14 107.14 9.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.813 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.499 ' O ' ' CB ' ' B' ' 8' ' ' ARG . 5.8 ttp180 -111.62 135.23 52.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.999 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' B' ' 5' ' ' ARG . . . 34.26 74.46 0.07 OUTLIER Glycine 0 N--CA 1.473 1.159 0 N-CA-C 110.109 -1.197 . . . . 0.0 110.109 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.424 ' CG ' ' O ' ' B' ' 6' ' ' GLY . 0.2 OUTLIER 39.41 39.97 0.52 Allowed 'General case' 0 C--O 1.231 0.116 0 CA-C-N 117.463 0.631 . . . . 0.0 110.89 -179.524 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' B' ' 5' ' ' ARG . 10.0 ttt180 -133.46 126.11 30.46 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 -78.88 112.46 16.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.896 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.641 ' CG2' ' HE ' ' B' ' 12' ' ' ARG . 11.5 mm -99.8 116.97 44.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.995 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -95.64 109.89 22.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.593 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . 0.69 ' NH1' ' NH2' ' B' ' 3' ' ' ARG . 21.8 mtt180 . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.553 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' ARG . . . . . 0.416 HH21 ' HG2' ' B' ' 1' ' ' ARG . 1.8 ptp85 . . . . . 0 N--CA 1.469 0.511 0 CA-C-O 121.25 0.548 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.4 p -127.41 105.92 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.036 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . 0.556 ' O ' ' N ' ' B' ' 10' ' ' ILE . 56.0 mtt-85 -83.57 156.51 22.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.925 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' THR . . . . . 0.5 ' O ' ' CG2' ' B' ' 4' ' ' THR . 5.2 t -129.44 118.61 22.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.432 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.673 ' O ' ' N ' ' B' ' 7' ' ' LYS . 10.6 mtp-105 -92.46 113.54 25.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.518 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 42.23 -80.09 0.0 OUTLIER Glycine 0 N--CA 1.485 1.941 0 N-CA-C 110.051 -1.219 . . . . 0.0 110.051 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.673 ' N ' ' O ' ' B' ' 5' ' ' ARG . 9.1 pttm -133.86 45.59 2.63 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 117.578 0.689 . . . . 0.0 110.05 179.178 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' B' ' 5' ' ' ARG . 35.4 ttt180 -144.3 147.24 33.26 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -94.77 137.09 34.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.059 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.556 ' N ' ' O ' ' B' ' 3' ' ' ARG . 3.8 mm -127.6 115.7 40.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.237 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -94.06 119.44 32.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.404 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . 0.502 ' CZ ' ' CG2' ' B' ' 10' ' ' ILE . 5.1 mtt-85 . . . . . 0 C--O 1.236 0.377 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.654 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' ARG . . . . . 0.43 ' HE ' ' HG3' ' B' ' 12' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.472 0.661 0 CA-C-O 121.131 0.491 . . . . 0.0 111.737 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.9 p -135.47 100.47 2.65 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.823 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . 0.409 ' O ' ' N ' ' B' ' 10' ' ' ILE . 0.1 OUTLIER -96.4 156.43 16.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.094 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 1.9 p -116.36 121.03 40.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.714 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.531 ' O ' ' N ' ' B' ' 8' ' ' ARG . 57.1 mtt180 -119.25 132.08 55.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.272 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' GLY . . . . . 0.475 ' C ' ' O ' ' B' ' 5' ' ' ARG . . . 33.83 53.81 0.66 Allowed Glycine 0 N--CA 1.48 1.633 0 N-CA-C 109.997 -1.241 . . . . 0.0 109.997 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 12.9 mptt 57.89 44.92 19.16 Favored 'General case' 0 C--O 1.23 0.06 0 CA-C-O 120.842 0.353 . . . . 0.0 110.603 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.531 ' N ' ' O ' ' B' ' 5' ' ' ARG . 6.9 ttt85 -133.83 133.19 41.29 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -77.76 112.57 14.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.147 -178.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.409 ' N ' ' O ' ' B' ' 3' ' ' ARG . 10.8 mm -103.88 96.2 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.629 179.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -94.69 105.25 17.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.171 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . 0.43 ' HG3' ' HE ' ' B' ' 1' ' ' ARG . 2.0 mmp_? . . . . . 0 C--O 1.236 0.37 0 CA-C-O 121.423 0.63 . . . . 0.0 109.763 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 . . . . . 0 C--O 1.24 0.598 0 CA-C-O 121.622 0.725 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p -121.79 99.26 6.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.073 178.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . 0.615 ' HE ' ' NH2' ' B' ' 12' ' ' ARG . 20.7 mtp85 -84.08 156.03 22.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.937 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' THR . . . . . 0.484 ' O ' ' CG2' ' B' ' 4' ' ' THR . 13.8 t -125.96 114.4 18.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.807 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.48 ' O ' ' CB ' ' B' ' 8' ' ' ARG . 2.6 mmp_? -112.7 134.94 53.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.155 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' B' ' 5' ' ' ARG . . . 33.86 77.84 0.04 OUTLIER Glycine 0 N--CA 1.48 1.578 0 N-CA-C 110.168 -1.173 . . . . 0.0 110.168 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' B' ' 6' ' ' GLY . 9.4 pttp 37.74 38.48 0.17 Allowed 'General case' 0 N--CA 1.457 -0.125 0 CA-C-N 117.642 0.721 . . . . 0.0 110.874 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' B' ' 5' ' ' ARG . 5.8 ttm-85 -134.26 135.7 43.07 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -79.51 137.38 37.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.559 ' N ' ' O ' ' B' ' 3' ' ' ARG . 4.0 mm -129.88 116.23 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.239 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.58 110.18 22.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.066 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . 0.615 ' NH2' ' HE ' ' B' ' 3' ' ' ARG . 10.2 mtt180 . . . . . 0 C--O 1.238 0.464 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.627 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.464 0 CA-C-O 121.257 0.551 . . . . 0.0 111.701 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -135.95 108.26 7.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.974 178.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . 0.41 ' HA ' HH21 ' B' ' 3' ' ' ARG . 5.1 mmt-85 -100.85 155.29 18.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.636 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 5.4 p -126.19 107.09 10.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.517 ' O ' ' CB ' ' B' ' 8' ' ' ARG . 15.8 mmt180 -117.49 133.49 55.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.37 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' GLY . . . . . 0.506 ' C ' ' O ' ' B' ' 5' ' ' ARG . . . 31.11 81.03 0.01 OUTLIER Glycine 0 N--CA 1.474 1.212 0 N-CA-C 110.197 -1.161 . . . . 0.0 110.197 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' B' ' 6' ' ' GLY . 0.0 OUTLIER 35.25 39.92 0.06 Allowed 'General case' 0 C--N 1.342 0.255 0 CA-C-N 117.613 0.707 . . . . 0.0 110.813 -179.596 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.517 ' CB ' ' O ' ' B' ' 5' ' ' ARG . 1.6 ttt180 -133.87 107.93 8.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.845 179.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 18.6 ttp85 -80.29 115.71 19.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.969 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 3.6 mm -102.1 98.67 7.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.787 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.536 ' O ' ' CG ' ' B' ' 11' ' ' ARG . 8.6 ptt180 -94.93 117.33 29.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.518 -179.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? . . . . . 0 CA--C 1.536 0.433 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.097 179.514 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' ARG . . . . . 0.494 ' C ' ' CD ' ' B' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.243 0.716 0 CA-C-O 121.432 0.634 . . . . 0.0 111.712 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.5 p -128.66 101.55 6.95 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.978 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . 0.677 ' HE ' ' H ' ' B' ' 4' ' ' THR . 0.0 OUTLIER -91.71 156.72 17.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.322 -179.224 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' THR . . . . . 0.677 ' H ' ' HE ' ' B' ' 3' ' ' ARG . 17.0 p -126.45 87.34 2.65 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.671 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.505 ' O ' ' N ' ' B' ' 8' ' ' ARG . 3.8 mmm180 -91.4 131.67 36.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.496 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' B' ' 5' ' ' ARG . . . 34.92 73.25 0.1 OUTLIER Glycine 0 N--CA 1.473 1.152 0 N-CA-C 109.931 -1.268 . . . . 0.0 109.931 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.448 ' CG ' ' O ' ' B' ' 6' ' ' GLY . 16.6 pttt 40.65 37.43 0.48 Allowed 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 117.418 0.609 . . . . 0.0 110.648 -179.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' B' ' 5' ' ' ARG . 8.0 ttt180 -133.03 118.2 18.51 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . 0.536 HH12 ' HE ' ' B' ' 11' ' ' ARG . 10.0 ttt-85 -78.73 141.63 37.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.952 -178.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' B' ' 3' ' ' ARG . 1.7 mt -125.82 108.29 19.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.327 179.072 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.536 ' HE ' HH12 ' B' ' 9' ' ' ARG . 13.1 ttm180 -93.48 105.32 17.39 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.647 0.592 . . . . 0.0 110.491 -179.206 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 69.1 mtt-85 . . . . . 0 C--O 1.235 0.334 0 CA-C-O 121.384 0.611 . . . . 0.0 110.314 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 . . . . . 0 C--O 1.24 0.566 0 CA-C-O 121.245 0.545 . . . . 0.0 111.549 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.456 ' CG1' ' NH2' ' B' ' 9' ' ' ARG . 19.3 t -107.38 96.22 4.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.929 178.294 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . 0.59 ' O ' ' N ' ' B' ' 10' ' ' ILE . 0.0 OUTLIER -85.41 135.34 33.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.059 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' THR . . . . . 0.506 ' O ' ' CG2' ' B' ' 4' ' ' THR . 4.9 t -130.61 119.2 22.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.628 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.705 ' O ' ' N ' ' B' ' 7' ' ' LYS . 51.0 mtp180 -92.99 129.35 38.94 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.241 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' B' ' 5' ' ' ARG . . . 30.95 -80.86 0.0 OUTLIER Glycine 0 N--CA 1.48 1.606 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.705 ' N ' ' O ' ' B' ' 5' ' ' ARG . 1.3 mtpm? -134.8 48.11 2.32 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-N 117.568 0.684 . . . . 0.0 110.07 178.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.552 ' N ' ' O ' ' B' ' 5' ' ' ARG . 47.6 mtp85 -142.6 129.89 21.05 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.965 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . 0.51 HH21 ' HG3' ' B' ' 9' ' ' ARG . 0.5 OUTLIER -83.06 129.88 35.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.957 -179.696 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.59 ' N ' ' O ' ' B' ' 3' ' ' ARG . 0.4 OUTLIER -132.2 105.03 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.803 179.108 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.517 ' O ' ' CG ' ' B' ' 11' ' ' ARG . 0.8 OUTLIER -95.65 120.52 36.05 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.564 -179.37 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . 0.416 ' NH2' HG22 ' B' ' 10' ' ' ILE . 46.3 mtt180 . . . . . 0 C--O 1.234 0.251 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.686 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' ARG . . . . . 0.558 ' CD ' HH12 ' B' ' 12' ' ' ARG . 3.1 ptp85 . . . . . 0 C--O 1.238 0.464 0 CA-C-O 120.93 0.395 . . . . 0.0 110.573 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.5 p -118.76 107.65 22.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.351 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . 0.656 ' CG ' HH11 ' B' ' 12' ' ' ARG . 1.8 mmm180 -83.06 152.06 25.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.944 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' THR . . . . . 0.468 ' O ' ' CG2' ' B' ' 4' ' ' THR . 14.8 t -132.22 114.72 14.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.781 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.671 ' O ' ' N ' ' B' ' 7' ' ' LYS . 3.2 ttp180 -92.33 117.79 30.26 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.564 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 45.4 -79.82 0.0 OUTLIER Glycine 0 N--CA 1.472 1.076 0 N-CA-C 110.222 -1.151 . . . . 0.0 110.222 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.671 ' N ' ' O ' ' B' ' 5' ' ' ARG . 17.9 pttt -140.3 45.01 1.86 Allowed 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.947 0.403 . . . . 0.0 110.173 179.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -140.87 132.65 27.4 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.301 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 10.1 tpp85 -79.24 140.23 37.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.99 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.575 ' N ' ' O ' ' B' ' 3' ' ' ARG . 5.1 mt -132.17 120.55 43.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.491 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -95.32 113.62 25.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.697 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . 0.656 HH11 ' CG ' ' B' ' 3' ' ' ARG . 22.2 mtm105 . . . . . 0 C--O 1.237 0.444 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.558 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ' G' . . . . . 0.762 " O2'" ' H8 ' ' A' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.432 1.507 0 C3'-C2'-C1' 103.623 2.359 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ' G' . . . . . 0.762 ' H8 ' " O2'" ' A' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.681 0 C5'-C4'-C3' 118.254 1.836 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ' U' . . . . . 0.433 " H5'" " O2'" ' A' ' 23' ' ' ' G' . . . . . . . . 0 P--O5' 1.623 2.989 0 C5'-C4'-C3' 118.641 2.094 . 0.964 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . 0.436 " O2'" " H5'" ' A' ' 26' ' ' ' U' . . . . . . . . 0 P--O5' 1.624 3.144 0 C5'-C4'-C3' 118.971 2.314 . 0.961 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ' U' . . . . . 0.436 " H5'" " O2'" ' A' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.913 0 C5'-C4'-C3' 118.67 2.113 . 0.961 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ' U' . . . . . 0.492 " O2'" " H5'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.058 0 C5'-C4'-C3' 117.969 1.646 . 0.97 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ' G' . . . . . 0.576 ' C4 ' ' NH2' ' B' ' 3' ' ' ARG . . . . . . . . 0 P--O5' 1.621 2.778 0 C3'-C2'-C1' 103.923 2.692 OUTLIER-DELTA 0.087 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ' A' . . . . . 0.819 " O2'" ' H6 ' ' A' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.85 0 C3'-C2'-C1' 103.537 2.263 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . 0.819 ' H6 ' " O2'" ' A' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.76 0 C3'-C2'-C1' 102.987 1.652 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ' U' . . . . . 0.64 ' C4 ' ' C2 ' ' A' ' 43' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.103 0 C3'-C2'-C1' 103.137 1.819 . 0.798 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ' G' . . . . . 0.636 ' C6 ' ' C2 ' ' A' ' 42' ' ' ' A' . . . . . . . . 0 P--O5' 1.623 2.973 0 C3'-C2'-C1' 102.815 1.461 . 0.955 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ' U' . . . . . 0.464 " O2'" " H5'" ' A' ' 34' ' ' ' U' . . . . . . . . 0 P--O5' 1.622 2.93 0 C5'-C4'-C3' 118.482 1.988 . 0.973 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ' U' . . . . . 0.925 " O2'" " H5'" ' A' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.938 0 C5'-C4'-C3' 119.16 2.44 . 0.952 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ' G' . . . . . 0.925 " H5'" " O2'" ' A' ' 34' ' ' ' U' . . . . . . . . 0 P--O5' 1.619 2.553 0 C3'-C2'-C1' 103.605 2.339 . 0.896 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ' A' . . . . . 0.668 ' C8 ' " O2'" ' A' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.433 -1.652 0 C3'-C2'-C1' 103.3 2.0 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ' A' . . . . . 0.516 ' OP1' " H4'" ' A' ' 36' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.429 -1.999 0 C3'-C2'-C1' 103.506 2.229 . 0.179 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ' U' . . . . . 0.59 " O2'" " O4'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.828 0 C3'-C2'-C1' 103.699 2.443 . 0.421 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ' C' . . . . . 0.59 " O4'" " O2'" ' A' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.924 0 C3'-C2'-C1' 103.054 1.726 . 0.018 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ' U' . . . . . 0.638 ' P ' HH11 ' B' ' 9' ' ' ARG . . . . . . . . 0 P--O5' 1.622 2.911 0 C3'-C2'-C1' 102.917 1.575 . 0.976 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ' C' . . . . . 0.459 " O2'" " H5'" ' A' ' 42' ' ' ' A' . . . . . . . . 0 P--O5' 1.622 2.921 0 C3'-C2'-C1' 103.722 2.469 . 0.978 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ' A' . . . . . 0.636 ' C2 ' ' C6 ' ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -2.979 0 C5'-C4'-C3' 117.894 1.596 . 0.973 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ' U' . . . . . 0.706 " O2'" " H5'" ' A' ' 44' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.081 0 C3'-C2'-C1' 103.301 2.001 . 0.948 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ' G' . . . . . 0.706 " H5'" " O2'" ' A' ' 43' ' ' ' U' . . . . . . . . 0 P--O5' 1.619 2.588 0 C3'-C2'-C1' 103.551 2.279 . 0.808 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ' G' . . . . . 0.631 " C5'" " O2'" ' A' ' 44' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.833 0 C3'-C2'-C1' 103.104 1.782 . 0.046 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ' C' . . . . . 0.643 " H4'" ' OP1' ' A' ' 46' ' ' ' C' . . . . . . . . 0 P--O5' 1.622 2.889 0 C3'-C2'-C1' 103.01 1.678 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.804 0 C3'-C2'-C1' 103.054 1.727 . 0.886 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.861 0 C5'-C4'-C3' 118.602 2.068 . 0.965 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ' C' . . . . . 0.471 " O2'" " H5'" ' A' ' 50' ' ' ' A' . . . . . . . . 0 P--O5' 1.624 3.102 0 C5'-C4'-C3' 119.4 2.6 . 0.963 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ' A' . . . . . 0.471 " H5'" " O2'" ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.048 0 C5'-C4'-C3' 119.6 2.733 . 0.953 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ' C' . . . . . 0.514 " O2'" " H5'" ' A' ' 52' ' ' ' C' . . . . . . . . 0 P--O5' 1.625 3.245 0 C5'-C4'-C3' 119.46 2.64 . 0.949 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ' C' . . . . . 0.514 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.144 0 C3'-C2'-C1' 103.511 2.234 . 0.946 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 . . . . . 0 N--CA 1.467 0.4 0 CA-C-O 121.031 0.443 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.4 p -114.44 102.78 14.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.128 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . 0.663 ' NH1' ' H62' ' A' ' 29' ' ' ' A' . 32.9 mtp180 -85.98 154.76 21.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' B' ' 8' ' ' ARG . 0.1 OUTLIER -126.11 120.6 30.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.519 179.88 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.52 ' O ' ' N ' ' B' ' 8' ' ' ARG . 37.1 mtm105 -115.64 136.64 52.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.975 -179.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' B' ' 5' ' ' ARG . . . 35.8 49.26 1.05 Allowed Glycine 0 N--CA 1.475 1.245 0 N-CA-C 110.429 -1.068 . . . . 0.0 110.429 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm 62.22 42.24 9.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.736 0.303 . . . . 0.0 110.61 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' B' ' 5' ' ' ARG . 88.9 mtt-85 -133.32 133.51 42.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.829 179.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . 0.638 HH11 ' P ' ' A' ' 40' ' ' ' U' . 0.2 OUTLIER -75.97 122.75 24.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.042 0.448 . . . . 0.0 110.971 -178.198 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.477 ' N ' ' O ' ' B' ' 3' ' ' ARG . 4.5 mm -120.25 120.05 61.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.458 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.495 ' CZ ' ' OP1' ' A' ' 39' ' ' ' C' . 11.6 ttm180 -95.27 114.59 26.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.599 -179.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.554 ' NE ' ' OP2' ' A' ' 28' ' ' ' G' . 3.2 tpm_? -128.99 98.24 4.88 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.402 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo . . . . . 0 C--N 1.313 -1.309 0 C-N-CA 122.281 1.987 . . . . 0.0 112.993 -179.769 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ' G' . . . . . 0.792 " O2'" ' H8 ' ' A' ' 23' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.532 1.667 0 C3'-C2'-C1' 103.701 2.446 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ' G' . . . . . 0.792 ' H8 ' " O2'" ' A' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.321 0 C1'-O4'-C4' 107.894 -1.896 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.727 0 O5'-C5'-C4' 112.672 1.766 . 0.971 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . 0.414 " O2'" " H5'" ' A' ' 26' ' ' ' U' . . . . . . . . 0 P--O5' 1.629 3.615 0 C5'-C4'-C3' 118.276 1.851 . 0.963 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ' U' . . . . . 0.414 " H5'" " O2'" ' A' ' 25' ' ' ' G' . . . . . . . . 0 P--O5' 1.629 3.634 0 C5'-C4'-C3' 117.885 1.59 . 0.959 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ' U' . . . . . 0.487 ' C6 ' ' NH2' ' B' ' 12' ' ' ARG . . . . . . . . 0 P--O5' 1.629 3.571 0 P-O3'-C3' 121.578 1.565 . 0.972 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ' G' . . . . . 0.793 " O2'" ' H8 ' ' A' ' 29' ' ' ' A' . . . . . . . . 0 P--O5' 1.625 3.165 0 C3'-C2'-C1' 103.915 2.684 OUTLIER-DELTA 0.05 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ' A' . . . . . 0.793 ' H8 ' " O2'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.519 0 C1'-O4'-C4' 108.072 -1.698 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . 0.717 " H5'" " O2'" ' A' ' 29' ' ' ' A' . . . . . . . . 0 P--O5' 1.625 3.228 0 P-O3'-C3' 122.945 2.704 . 0.935 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ' U' . . . . . 0.853 " O2'" " H5'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 P--O5' 1.63 3.705 0 C3'-C2'-C1' 104.432 3.257 . 0.081 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ' G' . . . . . 0.853 " H5'" " O2'" ' A' ' 31' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 1.999 0 C3'-C2'-C1' 103.823 2.581 . 0.195 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ' U' . . . . . 0.829 " H5'" " O2'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 P--O5' 1.616 2.311 0 P-O3'-C3' 122.283 2.152 . 0.063 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ' U' . . . . . 0.711 " O2'" " H5'" ' A' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.448 0 C3'-C2'-C1' 103.48 2.2 . 0.695 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ' G' . . . . . 0.711 " H5'" " O2'" ' A' ' 34' ' ' ' U' . . . . . . . . 0 P--O5' 1.611 1.818 0 C3'-C2'-C1' 103.94 2.711 . 0.056 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ' A' . . . . . 0.614 " H5'" " O2'" ' A' ' 35' ' ' ' G' . . . . . . . . 0 P--O5' 1.618 2.526 0 P-O3'-C3' 123.678 3.315 . 0.04 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ' A' . . . . . 0.869 H5'' ' OP2' ' A' ' 38' ' ' ' U' . . . . . . . . 0 P--O5' 1.627 3.381 0 P-O3'-C3' 122.907 2.673 . 0.906 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ' U' . . . . . 0.869 ' OP2' H5'' ' A' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.962 0 C3'-C2'-C1' 103.129 1.809 . 0.234 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ' C' . . . . . 0.657 " O2'" " H5'" ' A' ' 40' ' ' ' U' . . . . . . . . 0 P--O5' 1.626 3.265 0 C3'-C2'-C1' 102.94 1.6 . 0.973 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ' U' . . . . . 0.657 " H5'" " O2'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 P--O5' 1.621 2.821 0 C4'-C3'-C2' 105.161 2.461 . 0.851 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ' C' . . . . . 0.624 ' C6 ' " O2'" ' A' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.435 -1.482 0 C3'-C2'-C1' 103.751 2.501 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ' A' . . . . . 0.661 ' N3 ' ' C5 ' ' A' ' 43' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.499 -2.359 0 C1'-O4'-C4' 108.109 -1.657 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ' U' . . . . . 0.749 " O2'" " H5'" ' A' ' 44' ' ' ' G' . . . . . . . . 0 P--O5' 1.632 3.896 0 O4'-C4'-C3' 108.503 2.145 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ' G' . . . . . 0.749 " H5'" " O2'" ' A' ' 43' ' ' ' U' . . . . . . . . 0 P--O5' 1.615 2.175 0 C3'-C2'-C1' 103.76 2.511 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ' G' . . . . . 0.63 ' H8 ' " O5'" ' A' ' 45' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.431 -1.824 0 C3'-C2'-C1' 103.953 2.726 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ' C' . . . . . 0.677 ' N4 ' HH12 ' B' ' 5' ' ' ARG . . . . . . . . 0 P--O5' 1.618 2.471 0 O5'-C5'-C4' 113.088 2.063 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ' A' . . . . . 0.444 " H5'" " O2'" ' A' ' 46' ' ' ' C' . . . . . . . . 0 P--O5' 1.628 3.503 0 O5'-C5'-C4' 112.896 1.926 . 0.954 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.571 0 O5'-C5'-C4' 112.83 1.878 . 0.957 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ' C' . . . . . 0.406 " O2'" " H5'" ' A' ' 50' ' ' ' A' . . . . . . . . 0 P--O5' 1.628 3.548 0 C5'-C4'-C3' 118.726 2.151 . 0.96 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ' A' . . . . . 0.406 " H5'" " O2'" ' A' ' 49' ' ' ' C' . . . . . . . . 0 P--O5' 1.63 3.738 0 C5'-C4'-C3' 118.202 1.802 . 0.958 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ' C' . . . . . 0.471 " O2'" " H5'" ' A' ' 52' ' ' ' C' . . . . . . . . 1 P--O5' 1.633 4.018 0 C5'-C4'-C3' 118.594 2.062 . 0.955 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ' C' . . . . . 0.471 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 P--O5' 1.629 3.626 0 C3'-C2'-C1' 103.377 2.085 . 0.954 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ARG . . . . . 0.454 ' NH2' ' C5 ' ' A' ' 30' ' ' ' C' . 0.1 OUTLIER . . . . . 0 C--O 1.242 0.684 0 CA-C-O 121.397 0.618 . . . . 0.0 111.043 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.4 t -119.47 98.84 6.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.478 177.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . 0.796 HH21 ' H ' ' B' ' 4' ' ' THR . 0.0 OUTLIER -84.25 154.93 22.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.726 -179.191 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.796 ' H ' HH21 ' B' ' 3' ' ' ARG . 6.4 p -118.52 94.56 4.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.465 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.677 HH12 ' N4 ' ' A' ' 46' ' ' ' C' . 26.8 mmt-85 -93.87 126.89 39.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.61 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . 0.491 ' C ' ' O ' ' B' ' 5' ' ' ARG . . . 32.35 58.3 0.41 Allowed Glycine 0 N--CA 1.477 1.423 0 N-CA-C 110.241 -1.144 . . . . 0.0 110.241 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 17.9 mttm 57.27 42.9 24.48 Favored 'General case' 0 N--CA 1.462 0.137 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.547 -179.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.564 ' N ' ' O ' ' B' ' 5' ' ' ARG . 9.3 ttt180 -133.5 131.84 40.3 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . 0.6 HH21 ' H42' ' A' ' 41' ' ' ' C' . 3.1 tpp85 -77.3 112.18 13.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.769 -178.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mm -100.79 110.41 27.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.437 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 17.2 ptt85 -94.63 96.72 9.61 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.35 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.567 ' NH2' ' C8 ' ' A' ' 28' ' ' ' G' . 42.6 mtm180 -120.82 103.9 9.45 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.159 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo . . . . . 0 C--N 1.311 -1.435 0 C-N-CA 122.274 1.983 . . . . 0.0 112.724 -179.787 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ' G' . . . . . 0.847 " O2'" ' H8 ' ' A' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.433 -1.689 0 C3'-C2'-C1' 103.834 2.593 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ' G' . . . . . 0.847 ' H8 ' " O2'" ' A' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.443 0 C3'-C2'-C1' 103.062 1.735 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.37 0 O5'-C5'-C4' 112.654 1.753 . 0.972 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.423 0 O5'-C5'-C4' 112.689 1.778 . 0.965 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.543 0 C3'-C2'-C1' 103.025 1.695 . 0.962 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ' U' . . . . . 0.589 " O2'" " H5'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 P--O5' 1.626 3.318 0 P-O3'-C3' 121.943 1.869 . 0.965 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ' G' . . . . . 0.639 " O2'" " O5'" ' A' ' 29' ' ' ' A' . . . . . . . . 0 P--O5' 1.624 3.108 0 O5'-C5'-C4' 112.967 1.976 . 0.704 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ' A' . . . . . 0.776 " O2'" " H5'" ' A' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.847 0 C3'-C2'-C1' 103.368 2.076 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . 0.85 " O2'" " H5'" ' A' ' 31' ' ' ' U' . . . . . . . . 0 P--O5' 1.61 1.744 0 C3'-C2'-C1' 104.064 2.849 . 0.072 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ' U' . . . . . 0.85 " H5'" " O2'" ' A' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.075 0 C4'-C3'-C2' 105.221 2.521 . 0.033 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ' G' . . . . . 0.466 " O2'" " H5'" ' A' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.429 -1.979 0 C3'-C2'-C1' 103.617 2.352 . 0.401 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ' U' . . . . . 0.764 " O2'" ' H6 ' ' A' ' 34' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.071 0 C3'-C2'-C1' 103.189 1.877 . 0.26 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ' U' . . . . . 0.764 ' H6 ' " O2'" ' A' ' 33' ' ' ' U' . . . . . . . . 0 P--O5' 1.617 2.44 0 C3'-C2'-C1' 103.684 2.427 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ' G' . . . . . 0.7 ' C8 ' " O2'" ' A' ' 34' ' ' ' U' . . . . . . . . 0 P--O5' 1.617 2.4 0 P-O3'-C3' 122.321 2.184 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ' A' . . . . . 0.682 ' H8 ' " O2'" ' A' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.442 2.332 0 P-O3'-C3' 123.694 3.328 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ' A' . . . . . 0.593 ' OP1' ' C5 ' ' A' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.428 -2.051 0 P-O3'-C3' 122.579 2.399 . 0.657 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ' U' . . . . . 0.593 ' C5 ' ' OP1' ' A' ' 37' ' ' ' A' . . . . . . . . 0 P--O5' 1.614 2.115 0 C3'-C2'-C1' 102.921 1.579 . 0.833 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ' C' . . . . . 0.545 ' N4 ' ' C4 ' ' A' ' 38' ' ' ' U' . . . . . . . . 0 P--O5' 1.623 3.044 0 C3'-C2'-C1' 103.389 2.099 . 0.95 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ' U' . . . . . 0.484 " H5'" " O2'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 P--O5' 1.624 3.093 0 C3'-C2'-C1' 103.06 1.733 . 0.956 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ' C' . . . . . 0.424 " O2'" " H5'" ' A' ' 42' ' ' ' A' . . . . . . . . 0 P--O5' 1.628 3.452 0 C3'-C2'-C1' 103.684 2.427 . 0.978 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ' A' . . . . . 0.648 ' H62' HH12 ' B' ' 1' ' ' ARG . . . . . . . . 0 P--O5' 1.626 3.271 0 C3'-C2'-C1' 103.167 1.852 . 0.981 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ' U' . . . . . 0.465 " H5'" " O2'" ' A' ' 42' ' ' ' A' . . . . . . . . 0 P--O5' 1.627 3.356 0 C3'-C2'-C1' 103.354 2.06 . 0.975 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ' G' . . . . . 0.49 " O2'" " H5'" ' A' ' 45' ' ' ' G' . . . . . . . . 0 P--O5' 1.625 3.165 0 C3'-C2'-C1' 102.891 1.546 . 0.754 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ' G' . . . . . 0.561 " O2'" " O5'" ' A' ' 46' ' ' ' C' . . . . . . . . 0 P--O5' 1.621 2.75 0 C3'-C2'-C1' 103.948 2.719 . 0.278 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ' C' . . . . . 0.743 " O2'" ' H8 ' ' A' ' 47' ' ' ' A' . . . . . . . . 0 P--O5' 1.612 1.908 0 C4'-C3'-C2' 105.428 2.728 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ' A' . . . . . 0.743 ' H8 ' " O2'" ' A' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.539 0 C3'-C2'-C1' 103.138 1.821 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.163 0 O5'-C5'-C4' 112.848 1.892 . 0.962 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ' C' . . . . . 0.409 " O2'" " H5'" ' A' ' 50' ' ' ' A' . . . . . . . . 0 P--O5' 1.627 3.412 0 C5'-C4'-C3' 118.491 1.994 . 0.962 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ' A' . . . . . 0.409 " H5'" " O2'" ' A' ' 49' ' ' ' C' . . . . . . . . 0 P--O5' 1.629 3.558 0 C3'-C2'-C1' 103.268 1.964 . 0.958 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ' C' . . . . . 0.483 " O2'" " H5'" ' A' ' 52' ' ' ' C' . . . . . . . . 0 P--O5' 1.629 3.571 0 P-O3'-C3' 122.168 2.057 . 0.952 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ' C' . . . . . 0.483 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 P--O5' 1.627 3.409 0 C3'-C2'-C1' 103.455 2.172 . 0.953 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ARG . . . . . 0.68 ' CZ ' ' H ' ' B' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.899 0.38 . . . . 0.0 110.119 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.68 ' H ' ' CZ ' ' B' ' 1' ' ' ARG . 6.8 m -115.44 92.95 2.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.226 178.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . 0.69 ' NH2' ' NH1' ' B' ' 12' ' ' ARG . 8.3 mtp180 -83.88 156.61 22.32 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 120.974 0.416 . . . . 0.0 110.451 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.542 ' O ' ' CG2' ' B' ' 4' ' ' THR . 13.0 t -129.14 107.14 9.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.813 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.552 ' NH2' ' H42' ' A' ' 46' ' ' ' C' . 5.8 ttp180 -111.62 135.23 52.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.999 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' B' ' 5' ' ' ARG . . . 34.26 74.46 0.07 OUTLIER Glycine 0 N--CA 1.473 1.159 0 N-CA-C 110.109 -1.197 . . . . 0.0 110.109 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.424 ' CG ' ' O ' ' B' ' 6' ' ' GLY . 0.2 OUTLIER 39.41 39.97 0.52 Allowed 'General case' 0 C--O 1.231 0.116 0 CA-C-N 117.463 0.631 . . . . 0.0 110.89 -179.524 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' B' ' 5' ' ' ARG . 10.0 ttt180 -133.46 126.11 30.46 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 -78.88 112.46 16.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.896 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.641 ' CG2' ' HE ' ' B' ' 12' ' ' ARG . 11.5 mm -99.8 116.97 44.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.995 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -95.64 109.89 22.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.593 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.69 ' NH1' ' NH2' ' B' ' 3' ' ' ARG . 21.8 mtt180 -124.14 88.19 2.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.553 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo . . . . . 0 C--N 1.314 -1.285 0 C-N-CA 122.317 2.011 . . . . 0.0 111.427 179.682 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ' G' . . . . . 0.763 " O2'" ' H8 ' ' A' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.433 -1.635 0 C3'-C2'-C1' 103.633 2.37 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ' G' . . . . . 0.763 ' H8 ' " O2'" ' A' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C3'-C2'-C1' 103.102 1.78 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ' U' . . . . . 0.439 " H5'" " O2'" ' A' ' 23' ' ' ' G' . . . . . . . . 0 P--O5' 1.626 3.269 0 C5'-C4'-C3' 118.277 1.851 . 0.964 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . 0.436 " O2'" " H5'" ' A' ' 26' ' ' ' U' . . . . . . . . 0 P--O5' 1.626 3.316 0 C5'-C4'-C3' 118.596 2.064 . 0.958 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ' U' . . . . . 0.436 " H5'" " O2'" ' A' ' 25' ' ' ' G' . . . . . . . . 0 P--O5' 1.626 3.251 0 C5'-C4'-C3' 118.319 1.88 . 0.958 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ' U' . . . . . 0.458 ' C5 ' ' NH1' ' B' ' 12' ' ' ARG . . . . . . . . 0 P--O5' 1.624 3.11 0 C3'-C2'-C1' 103.044 1.715 . 0.964 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ' G' . . . . . 0.588 ' N7 ' ' CZ ' ' B' ' 12' ' ' ARG . . . . . . . . 0 O4'--C4' 1.413 -3.368 0 O5'-C5'-C4' 112.661 1.758 . 0.974 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ' A' . . . . . 0.682 " O2'" ' H6 ' ' A' ' 30' ' ' ' C' . . . . . . . . 0 P--O5' 1.621 2.767 0 C3'-C2'-C1' 103.746 2.496 . 0.457 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . 0.682 ' H6 ' " O2'" ' A' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.737 0 C1'-O4'-C4' 108.185 -1.573 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ' U' . . . . . 0.548 ' N3 ' " O4'" ' A' ' 43' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.837 0 C3'-C2'-C1' 104.64 3.489 . 0.247 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ' G' . . . . . 0.602 " O2'" " H5'" ' A' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.674 0 C3'-C2'-C1' 103.108 1.786 . 0.231 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ' U' . . . . . 0.602 " H5'" " O2'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 P--O5' 1.617 2.402 0 C3'-C2'-C1' 104.095 2.883 . 0.749 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ' U' . . . . . 0.579 " O2'" " H5'" ' A' ' 35' ' ' ' G' . . . . . . . . 0 P--O5' 1.624 3.114 0 C3'-C2'-C1' 103.524 2.249 . 0.034 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ' G' . . . . . 0.593 ' N2 ' ' N6 ' ' A' ' 36' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.43 -1.954 0 C3'-C2'-C1' 103.166 1.851 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ' A' . . . . . 0.593 ' N6 ' ' N2 ' ' A' ' 35' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.933 0 C3'-C2'-C1' 103.537 2.263 . 0.123 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.892 0 C3'-C2'-C1' 103.487 2.208 . 0.196 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ' U' . . . . . 0.668 " O2'" " C5'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 P--O5' 1.612 1.93 0 C3'-C2'-C1' 103.482 2.202 . 0.478 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ' C' . . . . . 0.826 " O2'" ' H6 ' ' A' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.435 1.718 0 C4'-C3'-C2' 104.966 2.266 . 0.024 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ' U' . . . . . 0.886 " O2'" ' H6 ' ' A' ' 41' ' ' ' C' . . . . . . . . 0 P--O5' 1.616 2.266 0 C3'-C2'-C1' 103.579 2.31 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ' C' . . . . . 0.886 ' H6 ' " O2'" ' A' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.141 0 C3'-C2'-C1' 103.971 2.745 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ' A' . . . . . 0.527 ' C2 ' ' C5 ' ' A' ' 43' ' ' ' U' . . . . . . . . 0 P--O5' 1.617 2.381 0 C5'-C4'-C3' 117.676 1.45 . 0.971 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ' U' . . . . . 0.548 " O4'" ' N3 ' ' A' ' 31' ' ' ' U' . . . . . . . . 0 P--O5' 1.628 3.468 0 C1'-O4'-C4' 107.116 -2.759 . 0.95 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ' G' . . . . . 0.497 " O2'" " O5'" ' A' ' 45' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.216 0 C3'-C2'-C1' 103.418 2.131 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ' G' . . . . . 0.678 " O2'" " H5'" ' A' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.154 0 C3'-C2'-C1' 103.895 2.661 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ' C' . . . . . 0.678 " H5'" " O2'" ' A' ' 45' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.181 0 P-O3'-C3' 121.464 1.47 . 0.083 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ' A' . . . . . 0.463 " H5'" " O2'" ' A' ' 46' ' ' ' C' . . . . . . . . 0 P--O5' 1.622 2.886 0 P-O3'-C3' 121.753 1.711 . 0.96 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.156 0 C5'-C4'-C3' 117.998 1.665 . 0.964 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ' C' . . . . . 0.459 " O2'" " H5'" ' A' ' 50' ' ' ' A' . . . . . . . . 0 P--O5' 1.624 3.117 0 C5'-C4'-C3' 118.969 2.313 . 0.963 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ' A' . . . . . 0.459 " H5'" " O2'" ' A' ' 49' ' ' ' C' . . . . . . . . 0 P--O5' 1.626 3.255 0 C5'-C4'-C3' 118.906 2.271 . 0.952 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ' C' . . . . . 0.492 " O2'" " H5'" ' A' ' 52' ' ' ' C' . . . . . . . . 0 P--O5' 1.627 3.43 0 C5'-C4'-C3' 118.908 2.272 . 0.949 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ' C' . . . . . 0.492 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 P--O5' 1.624 3.148 0 C3'-C2'-C1' 103.46 2.178 . 0.951 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ARG . . . . . 0.51 ' NH2' ' P ' ' A' ' 29' ' ' ' A' . 1.8 ptp85 . . . . . 0 N--CA 1.469 0.511 0 CA-C-O 121.25 0.548 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.499 ' CG1' ' H42' ' A' ' 41' ' ' ' C' . 1.4 p -127.41 105.92 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.036 179.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . 0.668 ' NE ' ' C5 ' ' A' ' 29' ' ' ' A' . 56.0 mtt-85 -83.57 156.51 22.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.925 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.5 ' O ' ' CG2' ' B' ' 4' ' ' THR . 5.2 t -129.44 118.61 22.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.432 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.673 ' O ' ' N ' ' B' ' 7' ' ' LYS . 10.6 mtp-105 -92.46 113.54 25.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.518 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 42.23 -80.09 0.0 OUTLIER Glycine 0 N--CA 1.485 1.941 0 N-CA-C 110.051 -1.219 . . . . 0.0 110.051 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.673 ' N ' ' O ' ' B' ' 5' ' ' ARG . 9.1 pttm -133.86 45.59 2.63 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 117.578 0.689 . . . . 0.0 110.05 179.178 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' B' ' 5' ' ' ARG . 35.4 ttt180 -144.3 147.24 33.26 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -94.77 137.09 34.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.059 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.556 ' N ' ' O ' ' B' ' 3' ' ' ARG . 3.8 mm -127.6 115.7 40.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.237 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -94.06 119.44 32.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.404 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.588 ' CZ ' ' N7 ' ' A' ' 28' ' ' ' G' . 5.1 mtt-85 -130.53 85.18 2.26 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.654 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo . . . . . 0 C--N 1.309 -1.525 0 C-N-CA 122.298 1.998 . . . . 0.0 114.087 -178.75 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ' G' . . . . . 0.782 " O2'" ' H8 ' ' A' ' 23' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.531 1.608 0 C3'-C2'-C1' 103.695 2.439 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ' G' . . . . . 0.782 ' H8 ' " O2'" ' A' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.515 0 C3'-C2'-C1' 102.997 1.663 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.406 0 O5'-C5'-C4' 112.679 1.771 . 0.97 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.311 0 C5'-C4'-C3' 118.282 1.855 . 0.963 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.441 0 C5'-C4'-C3' 117.936 1.624 . 0.963 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ' U' . . . . . 0.462 " O2'" " H5'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 P--O5' 1.626 3.288 0 P-O3'-C3' 121.425 1.437 . 0.974 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ' G' . . . . . 0.633 " O2'" ' H8 ' ' A' ' 29' ' ' ' A' . . . . . . . . 0 P--O5' 1.622 2.941 0 C4'-C3'-C2' 105.056 2.356 . 0.345 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ' A' . . . . . 0.633 ' H8 ' " O2'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 P--O5' 1.616 2.34 0 C3'-C2'-C1' 103.563 2.292 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . 0.608 " C5'" " O2'" ' A' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.015 0 O4'-C1'-N19 106.055 -2.145 . 0.051 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ' U' . . . . . 0.522 ' C5 ' ' O2 ' ' A' ' 30' ' ' ' C' . . . . . . . . 0 P--O5' 1.616 2.338 0 C3'-C2'-C1' 103.399 2.11 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ' G' . . . . . 0.488 ' N7 ' ' OP2' ' A' ' 31' ' ' ' U' . . . . . . . . 0 P--O5' 1.62 2.719 0 C4'-C3'-C2' 104.572 1.872 . 0.166 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.141 0 C3'-C2'-C1' 103.441 2.157 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ' U' . . . . . 0.741 " O2'" " H5'" ' A' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.9 0 C3'-C2'-C1' 104.027 2.807 . 0.775 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ' G' . . . . . 0.741 " H5'" " O2'" ' A' ' 34' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.918 0 C3'-C2'-C1' 103.554 2.283 . 0.927 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ' A' . . . . . 0.723 ' C8 ' " O2'" ' A' ' 35' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.087 0 P-O3'-C3' 123.149 2.874 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ' A' . . . . . 0.62 ' C8 ' " O2'" ' A' ' 36' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.434 1.688 0 P-O3'-C3' 123.389 3.074 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ' U' . . . . . 0.624 " O2'" " C5'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.869 0 C3'-C2'-C1' 104.034 2.816 . 0.496 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ' C' . . . . . 0.664 " O2'" " H5'" ' A' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.09 0 C3'-C2'-C1' 103.186 1.874 . 0.044 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ' U' . . . . . 0.867 " O2'" ' H6 ' ' A' ' 41' ' ' ' C' . . . . . . . . 0 P--O5' 1.619 2.596 0 C3'-C2'-C1' 103.778 2.531 . 0.469 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ' C' . . . . . 0.867 ' H6 ' " O2'" ' A' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.07 0 C3'-C2'-C1' 103.83 2.589 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ' A' . . . . . 0.648 ' C6 ' ' C5 ' ' A' ' 43' ' ' ' U' . . . . . . . . 0 P--O5' 1.626 3.268 0 C3'-C2'-C1' 103.164 1.848 . 0.985 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ' U' . . . . . 0.661 ' O2 ' " H3'" ' A' ' 43' ' ' ' U' . . . . . . . . 0 P--O5' 1.616 2.283 0 C3'-C2'-C1' 102.97 1.634 . 0.654 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ' G' . . . . . 0.744 " O2'" ' H8 ' ' A' ' 45' ' ' ' G' . . . . . . . . 0 P--O5' 1.616 2.318 0 C3'-C2'-C1' 103.461 2.179 . 0.141 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ' G' . . . . . 0.744 ' H8 ' " O2'" ' A' ' 44' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.429 0 P-O3'-C3' 121.64 1.617 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ' C' . . . . . 0.644 " H5'" " O2'" ' A' ' 45' ' ' ' G' . . . . . . . . 0 P--O5' 1.628 3.522 0 P-O3'-C3' 122.491 2.326 . 0.931 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ' A' . . . . . 0.462 " H5'" " O2'" ' A' ' 46' ' ' ' C' . . . . . . . . 0 P--O5' 1.625 3.234 0 P-O3'-C3' 121.978 1.898 . 0.948 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.354 0 O5'-C5'-C4' 112.658 1.756 . 0.958 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.377 0 C5'-C4'-C3' 118.642 2.095 . 0.963 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.584 0 C5'-C4'-C3' 118.218 1.812 . 0.958 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ' C' . . . . . 0.476 " O2'" " H5'" ' A' ' 52' ' ' ' C' . . . . . . . . 0 P--O5' 1.629 3.631 0 C5'-C4'-C3' 118.68 2.12 . 0.952 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ' C' . . . . . 0.476 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 P--O5' 1.627 3.42 0 C3'-C2'-C1' 103.524 2.248 . 0.955 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ARG . . . . . 0.513 ' CB ' ' N3 ' ' A' ' 30' ' ' ' C' . 0.1 OUTLIER . . . . . 0 N--CA 1.472 0.661 0 CA-C-O 121.131 0.491 . . . . 0.0 111.737 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.9 p -135.47 100.47 2.65 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.823 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . 0.418 ' CD ' ' N1 ' ' A' ' 29' ' ' ' A' . 0.1 OUTLIER -96.4 156.43 16.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.094 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 1.9 p -116.36 121.03 40.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.714 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.607 ' NH1' ' N7 ' ' A' ' 28' ' ' ' G' . 57.1 mtt180 -119.25 132.08 55.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.272 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . 0.475 ' C ' ' O ' ' B' ' 5' ' ' ARG . . . 33.83 53.81 0.66 Allowed Glycine 0 N--CA 1.48 1.633 0 N-CA-C 109.997 -1.241 . . . . 0.0 109.997 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 12.9 mptt 57.89 44.92 19.16 Favored 'General case' 0 C--O 1.23 0.06 0 CA-C-O 120.842 0.353 . . . . 0.0 110.603 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.531 ' N ' ' O ' ' B' ' 5' ' ' ARG . 6.9 ttt85 -133.83 133.19 41.29 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -77.76 112.57 14.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.147 -178.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.409 ' N ' ' O ' ' B' ' 3' ' ' ARG . 10.8 mm -103.88 96.2 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.629 179.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -94.69 105.25 17.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.171 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.568 ' NE ' ' OP2' ' A' ' 28' ' ' ' G' . 2.0 mmp_? -117.98 95.41 4.9 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.423 0.63 . . . . 0.0 109.763 -179.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo . . . . . 0 N--CA 1.493 1.475 0 C-N-CA 122.322 2.015 . . . . 0.0 113.437 -179.527 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ' G' . . . . . 0.807 " O2'" ' H8 ' ' A' ' 23' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.53 1.563 0 C3'-C2'-C1' 103.656 2.396 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ' G' . . . . . 0.807 ' H8 ' " O2'" ' A' ' 22' ' ' ' G' . . . . . . . . 0 P--O5' 1.62 2.688 0 C3'-C2'-C1' 103.177 1.864 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.053 0 O5'-C5'-C4' 112.582 1.702 . 0.97 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . 0.418 " O2'" " H5'" ' A' ' 26' ' ' ' U' . . . . . . . . 1 P--O5' 1.633 4.038 0 C5'-C4'-C3' 118.127 1.751 . 0.96 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ' U' . . . . . 0.418 " H5'" " O2'" ' A' ' 25' ' ' ' G' . . . . . . . . 1 P--O5' 1.633 4.029 0 C3'-C2'-C1' 103.013 1.681 . 0.962 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ' U' . . . . . 0.479 " O2'" " H5'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 P--O5' 1.632 3.931 0 P-O3'-C3' 121.496 1.497 . 0.972 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ' G' . . . . . 0.643 ' N7 ' ' NH2' ' B' ' 12' ' ' ARG . . . . . . . . 0 P--O5' 1.627 3.369 0 C3'-C2'-C1' 104.156 2.951 OUTLIER-DELTA 0.108 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ' A' . . . . . 0.825 " O2'" ' H6 ' ' A' ' 30' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.16 0 C3'-C2'-C1' 103.88 2.645 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . 0.825 ' H6 ' " O2'" ' A' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.805 0 C3'-C2'-C1' 103.295 1.995 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ' U' . . . . . 0.766 " O2'" " H5'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 P--O5' 1.627 3.413 0 C3'-C2'-C1' 104.309 3.122 OUTLIER-DELTA 0.17 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ' G' . . . . . 0.964 " O2'" " H2'" ' A' ' 33' ' ' ' U' . . . . . . . . 0 P--O5' 1.616 2.257 0 C3'-C2'-C1' 103.826 2.584 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ' U' . . . . . 0.964 " H2'" " O2'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.345 0 O4'-C4'-C3' 108.251 1.965 . 0.311 2z . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ' U' . . . . . 0.514 ' C6 ' " O4'" ' A' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.368 0 C3'-C2'-C1' 103.561 2.29 . 0.789 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ' G' . . . . . 0.851 ' H8 ' ' OP2' ' A' ' 35' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.893 0 C3'-C2'-C1' 103.388 2.098 . 0.034 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ' A' . . . . . 0.68 " H5'" " O2'" ' A' ' 35' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.103 0 C3'-C2'-C1' 103.7 2.444 . 0.045 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ' A' . . . . . 0.616 " O5'" ' H8 ' ' A' ' 37' ' ' ' A' . . . . . . . . 0 P--O5' 1.612 1.943 0 C3'-C2'-C1' 104.041 2.824 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ' U' . . . . . 0.459 " O2'" " O5'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.836 0 C3'-C2'-C1' 103.515 2.239 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ' C' . . . . . 0.475 ' OP2' ' NH1' ' B' ' 11' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.717 0 C3'-C2'-C1' 103.153 1.836 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.939 0 C3'-C2'-C1' 103.009 1.676 . 0.904 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ' C' . . . . . 0.507 ' OP2' ' NH2' ' B' ' 9' ' ' ARG . . . . . . . . 0 P--O5' 1.629 3.647 0 C3'-C2'-C1' 103.664 2.404 . 0.982 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ' A' . . . . . 0.476 ' H62' ' CG1' ' B' ' 2' ' ' VAL . . . . . . . . 0 P--O5' 1.628 3.547 0 C3'-C2'-C1' 102.916 1.573 . 0.98 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ' U' . . . . . 0.757 " O2'" ' H8 ' ' A' ' 44' ' ' ' G' . . . . . . . . 1 P--O5' 1.634 4.117 0 C3'-C2'-C1' 103.352 2.058 . 0.966 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ' G' . . . . . 0.757 ' H8 ' " O2'" ' A' ' 43' ' ' ' U' . . . . . . . . 0 P--O5' 1.625 3.174 0 C3'-C2'-C1' 103.595 2.328 . 0.9 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ' G' . . . . . 0.644 " O2'" " C5'" ' A' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.43 -1.911 0 C3'-C2'-C1' 103.735 2.483 . 0.881 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ' C' . . . . . 0.644 " C5'" " O2'" ' A' ' 45' ' ' ' G' . . . . . . . . 0 P--O5' 1.624 3.115 0 P-O3'-C3' 123.453 3.128 . 0.01 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ' A' . . . . . 0.481 " H5'" " O2'" ' A' ' 46' ' ' ' C' . . . . . . . . 0 P--O5' 1.628 3.525 0 P-O3'-C3' 122.402 2.251 . 0.953 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.877 0 P-O3'-C3' 121.838 1.781 . 0.96 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ' C' . . . . . 0.415 " O2'" " H5'" ' A' ' 50' ' ' ' A' . . . . . . . . 1 P--O5' 1.633 4.027 0 C5'-C4'-C3' 118.42 1.947 . 0.962 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ' A' . . . . . 0.415 " H5'" " O2'" ' A' ' 49' ' ' ' C' . . . . . . . . 1 P--O5' 1.634 4.125 0 C3'-C2'-C1' 103.181 1.867 . 0.957 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ' C' . . . . . 0.491 " O2'" " H5'" ' A' ' 52' ' ' ' C' . . . . . . . . 1 P--O5' 1.637 4.44 0 C5'-C4'-C3' 118.492 1.994 . 0.952 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ' C' . . . . . 0.491 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 P--O5' 1.631 3.831 0 C3'-C2'-C1' 103.339 2.043 . 0.95 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 . . . . . 0 C--O 1.24 0.598 0 CA-C-O 121.622 0.725 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.476 ' CG1' ' H62' ' A' ' 42' ' ' ' A' . 7.3 p -121.79 99.26 6.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.073 178.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . 0.679 HH21 ' N4 ' ' A' ' 30' ' ' ' C' . 20.7 mtp85 -84.08 156.03 22.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.937 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.484 ' O ' ' CG2' ' B' ' 4' ' ' THR . 13.8 t -125.96 114.4 18.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.807 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.48 ' O ' ' CB ' ' B' ' 8' ' ' ARG . 2.6 mmp_? -112.7 134.94 53.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.155 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' B' ' 5' ' ' ARG . . . 33.86 77.84 0.04 OUTLIER Glycine 0 N--CA 1.48 1.578 0 N-CA-C 110.168 -1.173 . . . . 0.0 110.168 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' B' ' 6' ' ' GLY . 9.4 pttp 37.74 38.48 0.17 Allowed 'General case' 0 N--CA 1.457 -0.125 0 CA-C-N 117.642 0.721 . . . . 0.0 110.874 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' B' ' 5' ' ' ARG . 5.8 ttm-85 -134.26 135.7 43.07 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . 0.507 ' NH2' ' OP2' ' A' ' 41' ' ' ' C' . 4.7 tpt180 -79.51 137.38 37.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.559 ' N ' ' O ' ' B' ' 3' ' ' ARG . 4.0 mm -129.88 116.23 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.239 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.475 ' NH1' ' OP2' ' A' ' 39' ' ' ' C' . 0.0 OUTLIER -95.58 110.18 22.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.066 -179.755 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.643 ' NH2' ' N7 ' ' A' ' 28' ' ' ' G' . 10.2 mtt180 -129.74 112.74 13.92 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.627 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo . . . . . 0 N--CA 1.493 1.496 0 C-N-CA 122.289 1.993 . . . . 0.0 112.703 -179.804 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ' G' . . . . . 0.799 " O2'" ' H8 ' ' A' ' 23' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.53 1.517 0 C3'-C2'-C1' 103.62 2.355 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ' G' . . . . . 0.799 ' H8 ' " O2'" ' A' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.623 0 C3'-C2'-C1' 103.15 1.834 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.336 0 O5'-C5'-C4' 112.812 1.866 . 0.969 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . 0.443 " O2'" " H5'" ' A' ' 26' ' ' ' U' . . . . . . . . 0 P--O5' 1.627 3.353 0 C5'-C4'-C3' 118.335 1.89 . 0.961 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ' U' . . . . . 0.458 " O2'" " H5'" ' A' ' 27' ' ' ' U' . . . . . . . . 0 P--O5' 1.627 3.431 0 C5'-C4'-C3' 118.385 1.923 . 0.956 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ' U' . . . . . 0.645 " O2'" " H5'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 P--O5' 1.626 3.284 0 P-O3'-C3' 121.872 1.81 . 0.959 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ' G' . . . . . 0.645 " H5'" " O2'" ' A' ' 27' ' ' ' U' . . . . . . . . 0 P--O5' 1.622 2.92 0 C3'-C2'-C1' 103.88 2.644 OUTLIER-DELTA 0.141 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ' A' . . . . . 0.606 ' C6 ' ' N4 ' ' A' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.565 0 C3'-C2'-C1' 103.327 2.03 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . 0.654 ' N4 ' ' NH1' ' B' ' 5' ' ' ARG . . . . . . . . 0 O4'--C4' 1.423 -2.516 0 C3'-C2'-C1' 104.454 3.282 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.481 0 C3'-C2'-C1' 104.697 3.553 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ' G' . . . . . 0.545 " O2'" " H5'" ' A' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.593 0 C3'-C2'-C1' 102.993 1.659 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ' U' . . . . . 0.545 " H5'" " O2'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 P--O5' 1.621 2.835 0 P-O3'-C3' 122.465 2.304 . 0.772 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ' U' . . . . . 0.806 " O2'" " H5'" ' A' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.489 0 C3'-C2'-C1' 104.026 2.807 . 0.56 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ' G' . . . . . 0.81 " O2'" ' H8 ' ' A' ' 36' ' ' ' A' . . . . . . . . 0 P--O5' 1.615 2.219 0 C4'-C3'-C2' 104.967 2.267 . 0.919 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ' A' . . . . . 1.016 " O2'" " H5'" ' A' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.421 0 P-O3'-C3' 123.888 3.49 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ' A' . . . . . 1.016 " H5'" " O2'" ' A' ' 36' ' ' ' A' . . . . . . . . 0 P--O5' 1.62 2.664 0 P-O3'-C3' 123.96 3.55 . 0.856 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ' U' . . . . . 0.69 ' OP2' " H4'" ' A' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.429 -2.018 0 C3'-C2'-C1' 103.855 2.617 . 0.16 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ' C' . . . . . 0.654 " O2'" " H5'" ' A' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.782 0 C3'-C2'-C1' 103.27 1.966 . 0.055 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ' U' . . . . . 0.866 " O2'" ' H6 ' ' A' ' 41' ' ' ' C' . . . . . . . . 0 P--O5' 1.618 2.472 0 C4'-C3'-C2' 104.769 2.069 . 0.883 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ' C' . . . . . 0.866 ' H6 ' " O2'" ' A' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.135 0 C3'-C2'-C1' 103.927 2.697 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ' A' . . . . . 0.878 " H2'" ' N3 ' ' A' ' 42' ' ' ' A' . . . . . . . . 0 P--O5' 1.623 3.006 0 P-O3'-C3' 121.644 1.62 . 0.93 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ' U' . . . . . 0.676 " O2'" " C5'" ' A' ' 44' ' ' ' G' . . . . . . . . 0 P--O5' 1.628 3.546 0 C3'-C2'-C1' 103.921 2.689 OUTLIER-DELTA 0.086 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ' G' . . . . . 0.676 " C5'" " O2'" ' A' ' 43' ' ' ' U' . . . . . . . . 0 P--O5' 1.615 2.18 0 C3'-C2'-C1' 104.005 2.783 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ' G' . . . . . 0.655 ' H8 ' " O5'" ' A' ' 45' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.431 -1.855 0 C3'-C2'-C1' 103.818 2.575 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ' C' . . . . . 0.655 " O2'" ' H8 ' ' A' ' 47' ' ' ' A' . . . . . . . . 0 P--O5' 1.615 2.173 0 C3'-C2'-C1' 103.742 2.491 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ' A' . . . . . 0.655 ' H8 ' " O2'" ' A' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.583 0 C3'-C2'-C1' 103.292 1.991 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ' A' . . . . . 0.416 " H5'" " O2'" ' A' ' 47' ' ' ' A' . . . . . . . . 0 P--O5' 1.625 3.173 0 O5'-C5'-C4' 113.018 2.013 . 0.958 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ' C' . . . . . 0.446 " O2'" " H5'" ' A' ' 50' ' ' ' A' . . . . . . . . 0 P--O5' 1.627 3.368 0 C5'-C4'-C3' 118.701 2.134 . 0.957 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ' A' . . . . . 0.446 " H5'" " O2'" ' A' ' 49' ' ' ' C' . . . . . . . . 0 P--O5' 1.628 3.535 0 C3'-C2'-C1' 103.34 2.044 . 0.953 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ' C' . . . . . 0.482 " O2'" " H5'" ' A' ' 52' ' ' ' C' . . . . . . . . 0 P--O5' 1.629 3.645 0 C5'-C4'-C3' 118.588 2.059 . 0.952 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ' C' . . . . . 0.482 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 P--O5' 1.625 3.211 0 C3'-C2'-C1' 103.342 2.047 . 0.952 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.464 0 CA-C-O 121.257 0.551 . . . . 0.0 111.701 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -135.95 108.26 7.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.974 178.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . 0.571 ' NH2' ' C5 ' ' A' ' 43' ' ' ' U' . 5.1 mmt-85 -100.85 155.29 18.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.636 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.6 ' OG1' ' N6 ' ' A' ' 42' ' ' ' A' . 5.4 p -126.19 107.09 10.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.654 ' NH1' ' N4 ' ' A' ' 30' ' ' ' C' . 15.8 mmt180 -117.49 133.49 55.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.37 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . 0.506 ' C ' ' O ' ' B' ' 5' ' ' ARG . . . 31.11 81.03 0.01 OUTLIER Glycine 0 N--CA 1.474 1.212 0 N-CA-C 110.197 -1.161 . . . . 0.0 110.197 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' B' ' 6' ' ' GLY . 0.0 OUTLIER 35.25 39.92 0.06 Allowed 'General case' 0 C--N 1.342 0.255 0 CA-C-N 117.613 0.707 . . . . 0.0 110.813 -179.596 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.517 ' CB ' ' O ' ' B' ' 5' ' ' ARG . 1.6 ttt180 -133.87 107.93 8.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.845 179.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 18.6 ttp85 -80.29 115.71 19.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.969 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 3.6 mm -102.1 98.67 7.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.787 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.536 ' CG ' ' O ' ' B' ' 11' ' ' ARG . 8.6 ptt180 -94.93 117.33 29.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.518 -179.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.57 ' NE ' ' OP2' ' A' ' 29' ' ' ' A' . 2.4 tmt_? -133.76 102.94 5.65 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.097 179.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo . . . . . 0 N--CA 1.492 1.419 0 C-N-CA 122.255 1.97 . . . . 0.0 113.528 -179.427 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ' G' . . . . . 0.777 " O2'" ' H8 ' ' A' ' 23' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.531 1.639 0 C3'-C2'-C1' 103.637 2.374 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ' G' . . . . . 0.777 ' H8 ' " O2'" ' A' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.535 0 C3'-C2'-C1' 102.951 1.613 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.225 0 O5'-C5'-C4' 112.635 1.74 . 0.969 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . 0.411 " O2'" " H5'" ' A' ' 26' ' ' ' U' . . . . . . . . 0 P--O5' 1.625 3.236 0 C5'-C4'-C3' 118.355 1.903 . 0.963 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ' U' . . . . . 0.463 ' OP2' ' NH1' ' B' ' 8' ' ' ARG . . . . . . . . 0 P--O5' 1.626 3.334 0 C5'-C4'-C3' 118.245 1.83 . 0.96 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ' U' . . . . . 0.419 " O2'" " H5'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 P--O5' 1.625 3.202 0 C3'-C2'-C1' 102.99 1.655 . 0.965 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ' G' . . . . . 0.461 ' N1 ' ' N6 ' ' A' ' 29' ' ' ' A' . . . . . . . . 0 P--O5' 1.625 3.221 0 C3'-C2'-C1' 103.099 1.777 . 0.972 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ' A' . . . . . 0.75 " O2'" ' H6 ' ' A' ' 30' ' ' ' C' . . . . . . . . 0 P--O5' 1.621 2.81 0 C3'-C2'-C1' 104.089 2.877 . 0.199 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . 0.75 ' H6 ' " O2'" ' A' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.081 0 C3'-C2'-C1' 103.021 1.69 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ' U' . . . . . 0.717 " O2'" " H5'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.897 0 C3'-C2'-C1' 103.483 2.203 . 0.887 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ' G' . . . . . 0.717 " H5'" " O2'" ' A' ' 31' ' ' ' U' . . . . . . . . 0 P--O5' 1.619 2.621 0 P-O3'-C3' 122.26 2.133 . 0.907 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.98 0 P-O3'-C3' 123.201 2.918 . 0.886 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ' U' . . . . . 0.506 ' O4 ' ' N3 ' ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.664 0 C3'-C2'-C1' 103.682 2.425 . 0.73 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ' G' . . . . . 0.606 ' C6 ' ' N1 ' ' A' ' 36' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.147 0 C3'-C2'-C1' 104.032 2.813 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ' A' . . . . . 0.775 " O2'" " H5'" ' A' ' 37' ' ' ' A' . . . . . . . . 0 P--O5' 1.613 2.042 0 C3'-C2'-C1' 103.254 1.949 . 0.865 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ' A' . . . . . 0.775 " H5'" " O2'" ' A' ' 36' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.434 -1.566 0 C3'-C2'-C1' 103.836 2.595 . 0.04 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ' U' . . . . . 0.734 " H5'" " O2'" ' A' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.431 -1.816 0 C3'-C2'-C1' 103.873 2.636 . 0.063 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ' C' . . . . . 0.421 " H5'" ' OP2' ' A' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.861 0 C3'-C2'-C1' 103.349 2.054 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ' U' . . . . . 0.518 ' OP2' ' CZ ' ' B' ' 9' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 C3'-C2'-C1' 102.933 1.592 . 0.122 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ' C' . . . . . 0.7 " O2'" " H5'" ' A' ' 42' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.115 0 C3'-C2'-C1' 104.075 2.861 . 0.98 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ' A' . . . . . 0.713 " O2'" " H5'" ' A' ' 43' ' ' ' U' . . . . . . . . 0 P--O5' 1.621 2.788 0 C3'-C2'-C1' 102.802 1.446 . 0.941 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ' U' . . . . . 0.713 " H5'" " O2'" ' A' ' 42' ' ' ' A' . . . . . . . . 0 P--O5' 1.624 3.08 0 P-O3'-C3' 123.45 3.125 . 0.924 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ' G' . . . . . 0.619 ' C8 ' " O2'" ' A' ' 43' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.429 -2.031 0 P-O3'-C3' 122.063 1.969 . 0.754 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ' G' . . . . . 0.572 ' N7 ' ' OP2' ' A' ' 44' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.386 0 P-O3'-C3' 122.077 1.981 . 0.01 6j . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ' C' . . . . . 0.602 " O2'" ' H8 ' ' A' ' 47' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.43 -1.907 0 C3'-C2'-C1' 103.482 2.202 . 0.15 3b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ' A' . . . . . 0.602 ' H8 ' " O2'" ' A' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.737 0 C3'-C2'-C1' 103.258 1.953 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.211 0 O5'-C5'-C4' 112.836 1.883 . 0.967 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ' C' . . . . . 0.437 " O2'" " H5'" ' A' ' 50' ' ' ' A' . . . . . . . . 0 P--O5' 1.626 3.278 0 C5'-C4'-C3' 118.899 2.266 . 0.959 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ' A' . . . . . 0.437 " H5'" " O2'" ' A' ' 49' ' ' ' C' . . . . . . . . 0 P--O5' 1.626 3.345 0 C5'-C4'-C3' 118.513 2.009 . 0.953 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ' C' . . . . . 0.498 " O2'" " H5'" ' A' ' 52' ' ' ' C' . . . . . . . . 0 P--O5' 1.628 3.473 0 C5'-C4'-C3' 118.837 2.225 . 0.952 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ' C' . . . . . 0.498 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 P--O5' 1.626 3.265 0 C3'-C2'-C1' 103.47 2.188 . 0.949 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ARG . . . . . 0.738 ' HE ' ' H42' ' A' ' 30' ' ' ' C' . 0.0 OUTLIER . . . . . 0 C--O 1.243 0.716 0 CA-C-O 121.432 0.634 . . . . 0.0 111.712 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.5 p -128.66 101.55 6.95 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.978 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . 0.677 ' HE ' ' H ' ' B' ' 4' ' ' THR . 0.0 OUTLIER -91.71 156.72 17.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.322 -179.224 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.677 ' H ' ' HE ' ' B' ' 3' ' ' ARG . 17.0 p -126.45 87.34 2.65 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.671 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.505 ' O ' ' N ' ' B' ' 8' ' ' ARG . 3.8 mmm180 -91.4 131.67 36.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.496 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' B' ' 5' ' ' ARG . . . 34.92 73.25 0.1 OUTLIER Glycine 0 N--CA 1.473 1.152 0 N-CA-C 109.931 -1.268 . . . . 0.0 109.931 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.448 ' CG ' ' O ' ' B' ' 6' ' ' GLY . 16.6 pttt 40.65 37.43 0.48 Allowed 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 117.418 0.609 . . . . 0.0 110.648 -179.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' B' ' 5' ' ' ARG . 8.0 ttt180 -133.03 118.2 18.51 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . 0.536 HH12 ' HE ' ' B' ' 11' ' ' ARG . 10.0 ttt-85 -78.73 141.63 37.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.952 -178.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' B' ' 3' ' ' ARG . 1.7 mt -125.82 108.29 19.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.327 179.072 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.536 ' HE ' HH12 ' B' ' 9' ' ' ARG . 13.1 ttm180 -93.48 105.32 17.39 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.647 0.592 . . . . 0.0 110.491 -179.206 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.446 ' NH2' ' OP2' ' A' ' 28' ' ' ' G' . 69.1 mtt-85 -131.47 100.41 5.14 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.384 0.611 . . . . 0.0 110.314 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo . . . . . 0 N--CA 1.491 1.379 0 C-N-CA 122.276 1.984 . . . . 0.0 113.235 -179.656 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ' G' . . . . . 0.775 " O2'" ' H8 ' ' A' ' 23' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.53 1.534 0 C3'-C2'-C1' 103.633 2.37 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ' G' . . . . . 0.775 ' H8 ' " O2'" ' A' ' 22' ' ' ' G' . . . . . . . . 0 P--O5' 1.617 2.364 0 C1'-O4'-C4' 108.006 -1.771 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.682 0 O5'-C5'-C4' 112.835 1.882 . 0.968 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.512 0 O5'-C5'-C4' 112.665 1.761 . 0.963 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.654 0 O5'-C5'-C4' 112.556 1.683 . 0.962 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ' U' . . . . . 0.604 ' C5 ' ' NH1' ' B' ' 12' ' ' ARG . . . . . . . . 0 P--O5' 1.629 3.601 0 C3'-C2'-C1' 102.788 1.431 . 0.971 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ' G' . . . . . 0.683 ' N7 ' ' NH2' ' B' ' 12' ' ' ARG . . . . . . . . 0 P--O5' 1.624 3.147 0 C4'-C3'-C2' 105.725 3.025 OUTLIER-DELTA 0.115 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ' A' . . . . . 0.632 ' H8 ' " O2'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 P--O5' 1.617 2.395 0 C3'-C2'-C1' 103.835 2.594 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . 0.791 ' O2 ' ' H5 ' ' A' ' 31' ' ' ' U' . . . . . . . . 0 P--O5' 1.617 2.416 0 P-O3'-C3' 121.563 1.552 . 0.017 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ' U' . . . . . 0.844 " O2'" " H5'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 P--O5' 1.632 3.937 0 C3'-C2'-C1' 104.529 3.366 OUTLIER-DELTA 0.027 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ' G' . . . . . 0.844 " H5'" " O2'" ' A' ' 31' ' ' ' U' . . . . . . . . 0 P--O5' 1.616 2.258 0 C3'-C2'-C1' 103.843 2.603 . 0.124 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ' U' . . . . . 0.783 " H5'" " O2'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.133 0 C3'-C2'-C1' 103.246 1.94 . 0.056 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.343 0 C3'-C2'-C1' 103.405 2.117 . 0.68 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.252 0 C3'-C2'-C1' 103.738 2.486 . 0.66 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.012 0 C3'-C2'-C1' 103.687 2.431 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.77 0 C3'-C2'-C1' 103.746 2.495 . 0.448 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ' U' . . . . . 0.637 " O2'" " H5'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.765 0 C3'-C2'-C1' 102.993 1.659 . 0.767 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ' C' . . . . . 0.89 " O2'" ' H6 ' ' A' ' 40' ' ' ' U' . . . . . . . . 0 P--O5' 1.62 2.652 0 C3'-C2'-C1' 103.471 2.19 . 0.891 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ' U' . . . . . 0.89 ' H6 ' " O2'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.939 0 C3'-C2'-C1' 103.27 1.966 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ' C' . . . . . 0.907 " O2'" ' H8 ' ' A' ' 42' ' ' ' A' . . . . . . . . 0 P--O5' 1.619 2.569 0 C3'-C2'-C1' 103.29 1.989 . 0.876 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ' A' . . . . . 0.907 ' H8 ' " O2'" ' A' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.443 2.405 0 C1'-O4'-C4' 108.092 -1.675 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ' U' . . . . . 0.643 ' C6 ' ' N3 ' ' A' ' 42' ' ' ' A' . . . . . . . . 0 P--O5' 1.624 3.12 0 C3'-C2'-C1' 104.262 3.069 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ' G' . . . . . 0.6 " H2'" " O2'" ' A' ' 43' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.426 -2.236 0 C3'-C2'-C1' 103.637 2.375 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ' G' . . . . . 0.742 " O2'" ' H6 ' ' A' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.428 -2.055 0 C3'-C2'-C1' 103.55 2.277 . 0.616 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ' C' . . . . . 0.742 ' H6 ' " O2'" ' A' ' 45' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.443 2.418 0 P-O3'-C3' 122.377 2.231 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ' A' . . . . . 0.434 " H5'" " O2'" ' A' ' 46' ' ' ' C' . . . . . . . . 0 P--O5' 1.627 3.441 0 P-O3'-C3' 121.977 1.898 . 0.959 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.57 0 O5'-C5'-C4' 112.508 1.648 . 0.961 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ' C' . . . . . 0.405 " O2'" " H5'" ' A' ' 50' ' ' ' A' . . . . . . . . 0 P--O5' 1.628 3.451 0 C5'-C4'-C3' 118.622 2.081 . 0.961 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ' A' . . . . . 0.405 " H5'" " O2'" ' A' ' 49' ' ' ' C' . . . . . . . . 0 P--O5' 1.629 3.606 0 C5'-C4'-C3' 118.275 1.85 . 0.958 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ' C' . . . . . 0.482 " O2'" " H5'" ' A' ' 52' ' ' ' C' . . . . . . . . 0 P--O5' 1.632 3.896 0 C5'-C4'-C3' 118.576 2.05 . 0.954 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ' C' . . . . . 0.482 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 P--O5' 1.626 3.327 0 C3'-C2'-C1' 103.423 2.137 . 0.952 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ARG . . . . . 0.551 ' NH2' HO2' ' A' ' 28' ' ' ' G' . 4.9 ptm180 . . . . . 0 C--O 1.24 0.566 0 CA-C-O 121.245 0.545 . . . . 0.0 111.549 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.456 ' CG1' ' NH2' ' B' ' 9' ' ' ARG . 19.3 t -107.38 96.22 4.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.929 178.294 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . 0.59 ' O ' ' N ' ' B' ' 10' ' ' ILE . 0.0 OUTLIER -85.41 135.34 33.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.059 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.506 ' O ' ' CG2' ' B' ' 4' ' ' THR . 4.9 t -130.61 119.2 22.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.628 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.705 ' O ' ' N ' ' B' ' 7' ' ' LYS . 51.0 mtp180 -92.99 129.35 38.94 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.241 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . 0.558 ' N ' ' OP2' ' A' ' 45' ' ' ' G' . . . 30.95 -80.86 0.0 OUTLIER Glycine 0 N--CA 1.48 1.606 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.705 ' N ' ' O ' ' B' ' 5' ' ' ARG . 1.3 mtpm? -134.8 48.11 2.32 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-N 117.568 0.684 . . . . 0.0 110.07 178.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.552 ' N ' ' O ' ' B' ' 5' ' ' ARG . 47.6 mtp85 -142.6 129.89 21.05 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.965 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . 0.668 HH11 ' H42' ' A' ' 41' ' ' ' C' . 0.5 OUTLIER -83.06 129.88 35.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.957 -179.696 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.59 ' N ' ' O ' ' B' ' 3' ' ' ARG . 0.4 OUTLIER -132.2 105.03 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.803 179.108 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.529 ' CZ ' ' OP2' ' A' ' 39' ' ' ' C' . 0.8 OUTLIER -95.65 120.52 36.05 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.564 -179.37 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.683 ' NH2' ' N7 ' ' A' ' 28' ' ' ' G' . 46.3 mtt180 -135.47 126.27 27.41 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.686 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' DPR . . . . . 0.408 ' C ' ' O ' ' B' ' 12' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo . . . . . 0 N--CA 1.49 1.316 0 C-N-CA 122.46 2.106 . . . . 0.0 112.789 -179.757 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ' G' . . . . . 0.778 " O2'" ' H8 ' ' A' ' 23' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.528 1.382 0 C3'-C2'-C1' 103.506 2.229 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ' G' . . . . . 0.778 ' H8 ' " O2'" ' A' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.088 0 C5'-C4'-C3' 118.398 1.932 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ' U' . . . . . 0.461 " H5'" " O2'" ' A' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.135 0 C5'-C4'-C3' 118.787 2.191 . 0.963 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ' G' . . . . . 0.478 " O2'" " H5'" ' A' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.067 0 C5'-C4'-C3' 119.129 2.419 . 0.954 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ' U' . . . . . 0.525 ' O4 ' ' NH2' ' B' ' 5' ' ' ARG . . . . . . . . 0 O4'--C4' 1.412 -3.388 0 C5'-C4'-C3' 119.078 2.385 . 0.953 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ' U' . . . . . 0.43 " O2'" " H5'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.409 -3.683 0 C5'-C4'-C3' 118.389 1.926 . 0.961 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ' G' . . . . . 0.607 ' N1 ' ' N6 ' ' A' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.406 -3.925 0 C5'-C4'-C3' 118.916 2.277 . 0.968 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ' A' . . . . . 0.804 " O2'" ' H6 ' ' A' ' 30' ' ' ' C' . . . . . . . . 0 P--O5' 1.617 2.363 0 C3'-C2'-C1' 103.48 2.2 . 0.552 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ' C' . . . . . 0.804 ' H6 ' " O2'" ' A' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.292 0 C3'-C2'-C1' 102.823 1.47 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ' U' . . . . . 0.538 ' C2 ' ' O6 ' ' A' ' 44' ' ' ' G' . . . . . . . . 0 P--O5' 1.618 2.46 0 C4'-C3'-C2' 105.222 2.522 . 0.273 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ' G' . . . . . 0.529 " O2'" ' C5 ' ' A' ' 34' ' ' ' U' . . . . . . . . 0 P--O5' 1.611 1.765 0 C3'-C2'-C1' 103.501 2.224 . 0.133 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ' U' . . . . . 0.401 " O5'" " O2'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -1.961 0 C3'-C2'-C1' 103.416 2.129 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ' U' . . . . . 0.529 ' C5 ' " O2'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.642 0 C3'-C2'-C1' 103.366 2.073 . 0.658 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ' G' . . . . . 0.712 " O2'" " H5'" ' A' ' 36' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.479 0 C3'-C2'-C1' 103.451 2.167 . 0.737 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ' A' . . . . . 0.712 " H5'" " O2'" ' A' ' 35' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.884 0 C3'-C2'-C1' 103.405 2.117 . 0.873 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ' A' . . . . . 0.664 " O5'" " O2'" ' A' ' 36' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.496 0 C3'-C2'-C1' 103.776 2.528 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ' U' . . . . . 0.66 " H5'" " O2'" ' A' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.216 0 C3'-C2'-C1' 103.067 1.741 . 0.058 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ' C' . . . . . 0.683 " O2'" " O4'" ' A' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.433 -1.705 0 C3'-C2'-C1' 103.473 2.192 . 0.858 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ' U' . . . . . 0.801 " O2'" " H5'" ' A' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.412 -3.452 0 C3'-C2'-C1' 103.442 2.158 . 0.017 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ' C' . . . . . 0.867 " O2'" ' H8 ' ' A' ' 42' ' ' ' A' . . . . . . . . 0 P--O5' 1.616 2.259 0 C3'-C2'-C1' 103.644 2.382 . 0.924 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ' A' . . . . . 0.867 ' H8 ' " O2'" ' A' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.25 0 C1'-O4'-C4' 108.062 -1.708 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ' U' . . . . . 0.683 ' C6 ' ' N3 ' ' A' ' 42' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.133 0 C3'-C2'-C1' 103.779 2.532 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ' G' . . . . . 0.741 " O2'" ' H8 ' ' A' ' 45' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -1.975 0 C3'-C2'-C1' 103.297 1.997 . 0.277 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ' G' . . . . . 0.782 " O2'" " H5'" ' A' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.1 0 C5'-C4'-C3' 118.361 1.908 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ' C' . . . . . 0.782 " H5'" " O2'" ' A' ' 45' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.444 2.495 0 C5'-C4'-C3' 118.264 1.843 . 0.931 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ' A' . . . . . 0.504 " H5'" " O2'" ' A' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.025 0 C5'-C4'-C3' 118.248 1.832 . 0.951 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ' A' . . . . . 0.409 " H5'" " O2'" ' A' ' 47' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.412 -3.393 0 C5'-C4'-C3' 118.616 2.077 . 0.955 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ' C' . . . . . 0.501 " O2'" " H5'" ' A' ' 50' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.412 -3.404 0 C5'-C4'-C3' 119.421 2.614 . 0.957 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ' A' . . . . . 0.501 " H5'" " O2'" ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.414 -3.24 0 C5'-C4'-C3' 119.428 2.619 . 0.947 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ' C' . . . . . 0.506 " O2'" " H5'" ' A' ' 52' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.326 0 C5'-C4'-C3' 119.325 2.55 . 0.943 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ' C' . . . . . 0.506 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.311 0 C3'-C2'-C1' 103.457 2.175 . 0.944 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ARG . . . . . 0.558 ' CD ' HH12 ' B' ' 12' ' ' ARG . 3.1 ptp85 . . . . . 0 C--O 1.238 0.464 0 CA-C-O 120.93 0.395 . . . . 0.0 110.573 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.5 p -118.76 107.65 22.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.351 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . 0.666 ' NH1' ' N4 ' ' A' ' 46' ' ' ' C' . 1.8 mmm180 -83.06 152.06 25.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.944 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.468 ' O ' ' CG2' ' B' ' 4' ' ' THR . 14.8 t -132.22 114.72 14.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.781 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.671 ' O ' ' N ' ' B' ' 7' ' ' LYS . 3.2 ttp180 -92.33 117.79 30.26 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.564 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 45.4 -79.82 0.0 OUTLIER Glycine 0 N--CA 1.472 1.076 0 N-CA-C 110.222 -1.151 . . . . 0.0 110.222 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.671 ' N ' ' O ' ' B' ' 5' ' ' ARG . 17.9 pttt -140.3 45.01 1.86 Allowed 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.947 0.403 . . . . 0.0 110.173 179.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -140.87 132.65 27.4 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.301 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 10.1 tpp85 -79.24 140.23 37.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.99 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.575 ' N ' ' O ' ' B' ' 3' ' ' ARG . 5.1 mt -132.17 120.55 43.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.491 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -95.32 113.62 25.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.697 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.68 ' NH1' ' C8 ' ' A' ' 29' ' ' ' A' . 22.2 mtm105 -131.88 109.84 10.38 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.558 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' DPR . . . . . 0.402 ' C ' ' O ' ' B' ' 12' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo . . . . . 0 C--N 1.313 -1.318 0 C-N-CA 122.306 2.004 . . . . 0.0 112.892 179.948 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 . . . . . 0 N--CA 1.467 0.4 0 CA-C-O 121.031 0.443 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.4 p -114.44 102.78 14.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.128 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' ARG . . . . . 0.477 ' O ' ' N ' ' B' ' 10' ' ' ILE . 32.9 mtp180 -85.98 154.76 21.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 4' ' ' THR . . . . . 0.476 ' HA ' ' O ' ' B' ' 8' ' ' ARG . 0.1 OUTLIER -126.11 120.6 30.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.519 179.88 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.52 ' O ' ' N ' ' B' ' 8' ' ' ARG . 37.1 mtm105 -115.64 136.64 52.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.975 -179.139 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' B' ' 5' ' ' ARG . . . 35.8 49.26 1.05 Allowed Glycine 0 N--CA 1.475 1.245 0 N-CA-C 110.429 -1.068 . . . . 0.0 110.429 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm 62.22 42.24 9.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.736 0.303 . . . . 0.0 110.61 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' B' ' 5' ' ' ARG . 88.9 mtt-85 -133.32 133.51 42.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.829 179.122 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ARG . . . . . 0.419 HH21 ' HD2' ' B' ' 9' ' ' ARG . 0.2 OUTLIER -75.97 122.75 24.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.042 0.448 . . . . 0.0 110.971 -178.198 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.477 ' N ' ' O ' ' B' ' 3' ' ' ARG . 4.5 mm -120.25 120.05 61.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.458 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -95.27 114.59 26.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.599 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? . . . . . 0 C--N 1.333 -0.145 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.402 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' ARG . . . . . 0.429 HH21 ' HD3' ' B' ' 1' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.242 0.684 0 CA-C-O 121.397 0.618 . . . . 0.0 111.043 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.4 t -119.47 98.84 6.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.478 177.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' ARG . . . . . 0.836 HH21 ' H ' ' B' ' 4' ' ' THR . 0.0 OUTLIER -84.25 154.93 22.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.726 -179.191 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 4' ' ' THR . . . . . 0.836 ' H ' HH21 ' B' ' 3' ' ' ARG . 6.4 p -118.52 94.56 4.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.465 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.564 ' O ' ' N ' ' B' ' 8' ' ' ARG . 26.8 mmt-85 -93.87 126.89 39.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.61 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' GLY . . . . . 0.491 ' C ' ' O ' ' B' ' 5' ' ' ARG . . . 32.35 58.3 0.41 Allowed Glycine 0 N--CA 1.477 1.423 0 N-CA-C 110.241 -1.144 . . . . 0.0 110.241 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 17.9 mttm 57.27 42.9 24.48 Favored 'General case' 0 N--CA 1.462 0.137 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.547 -179.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.564 ' N ' ' O ' ' B' ' 5' ' ' ARG . 9.3 ttt180 -133.5 131.84 40.3 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ARG . . . . . 0.405 ' HG2' HH21 ' B' ' 9' ' ' ARG . 3.1 tpp85 -77.3 112.18 13.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.769 -178.726 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.458 HG21 ' CZ ' ' B' ' 12' ' ' ARG . 3.1 mm -100.79 110.41 27.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.437 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 17.2 ptt85 -94.63 96.72 9.61 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.35 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ARG . . . . . 0.458 ' CZ ' HG21 ' B' ' 10' ' ' ILE . 42.6 mtm180 . . . . . 0 C--O 1.235 0.328 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.159 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 1' ' ' ARG . . . . . 0.689 ' CZ ' ' H ' ' B' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.899 0.38 . . . . 0.0 110.119 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.689 ' H ' ' CZ ' ' B' ' 1' ' ' ARG . 6.8 m -115.44 92.95 2.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.226 178.416 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 3' ' ' ARG . . . . . 0.69 ' NH2' ' NH1' ' B' ' 12' ' ' ARG . 8.3 mtp180 -83.88 156.61 22.32 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 120.974 0.416 . . . . 0.0 110.451 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 4' ' ' THR . . . . . 0.724 ' O ' HG23 ' B' ' 4' ' ' THR . 13.0 t -129.14 107.14 9.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.813 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.499 ' O ' ' CB ' ' B' ' 8' ' ' ARG . 5.8 ttp180 -111.62 135.23 52.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.999 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' B' ' 5' ' ' ARG . . . 34.26 74.46 0.07 OUTLIER Glycine 0 N--CA 1.473 1.159 0 N-CA-C 110.109 -1.197 . . . . 0.0 110.109 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.424 ' CG ' ' O ' ' B' ' 6' ' ' GLY . 0.2 OUTLIER 39.41 39.97 0.52 Allowed 'General case' 0 C--O 1.231 0.116 0 CA-C-N 117.463 0.631 . . . . 0.0 110.89 -179.524 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' B' ' 5' ' ' ARG . 10.0 ttt180 -133.46 126.11 30.46 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 -78.88 112.46 16.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.896 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.678 ' CG2' ' HE ' ' B' ' 12' ' ' ARG . 11.5 mm -99.8 116.97 44.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.995 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -95.64 109.89 22.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.593 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ARG . . . . . 0.69 ' NH1' ' NH2' ' B' ' 3' ' ' ARG . 21.8 mtt180 . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.553 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 1' ' ' ARG . . . . . 0.405 ' HG2' HH21 ' B' ' 1' ' ' ARG . 1.8 ptp85 . . . . . 0 N--CA 1.469 0.511 0 CA-C-O 121.25 0.548 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.4 p -127.41 105.92 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.036 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' ARG . . . . . 0.556 ' O ' ' N ' ' B' ' 10' ' ' ILE . 56.0 mtt-85 -83.57 156.51 22.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.925 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 4' ' ' THR . . . . . 0.582 ' O ' HG23 ' B' ' 4' ' ' THR . 5.2 t -129.44 118.61 22.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.432 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.673 ' O ' ' N ' ' B' ' 7' ' ' LYS . 10.6 mtp-105 -92.46 113.54 25.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.518 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 42.23 -80.09 0.0 OUTLIER Glycine 0 N--CA 1.485 1.941 0 N-CA-C 110.051 -1.219 . . . . 0.0 110.051 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.673 ' N ' ' O ' ' B' ' 5' ' ' ARG . 9.1 pttm -133.86 45.59 2.63 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 117.578 0.689 . . . . 0.0 110.05 179.178 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' B' ' 5' ' ' ARG . 35.4 ttt180 -144.3 147.24 33.26 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -94.77 137.09 34.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.059 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.556 ' N ' ' O ' ' B' ' 3' ' ' ARG . 3.8 mm -127.6 115.7 40.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.237 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -94.06 119.44 32.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.404 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ARG . . . . . 0.502 ' CZ ' ' CG2' ' B' ' 10' ' ' ILE . 5.1 mtt-85 . . . . . 0 C--O 1.236 0.377 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.654 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 1' ' ' ARG . . . . . 0.481 ' HE ' ' HG3' ' B' ' 12' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.472 0.661 0 CA-C-O 121.131 0.491 . . . . 0.0 111.737 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.9 p -135.47 100.47 2.65 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.823 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' ARG . . . . . 0.409 ' O ' ' N ' ' B' ' 10' ' ' ILE . 0.1 OUTLIER -96.4 156.43 16.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.094 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 1.9 p -116.36 121.03 40.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.714 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.531 ' O ' ' N ' ' B' ' 8' ' ' ARG . 57.1 mtt180 -119.25 132.08 55.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.272 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' GLY . . . . . 0.475 ' C ' ' O ' ' B' ' 5' ' ' ARG . . . 33.83 53.81 0.66 Allowed Glycine 0 N--CA 1.48 1.633 0 N-CA-C 109.997 -1.241 . . . . 0.0 109.997 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 12.9 mptt 57.89 44.92 19.16 Favored 'General case' 0 C--O 1.23 0.06 0 CA-C-O 120.842 0.353 . . . . 0.0 110.603 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.531 ' N ' ' O ' ' B' ' 5' ' ' ARG . 6.9 ttt85 -133.83 133.19 41.29 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -77.76 112.57 14.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.147 -178.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.445 HG21 ' CZ ' ' B' ' 5' ' ' ARG . 10.8 mm -103.88 96.2 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.629 179.347 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -94.69 105.25 17.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.171 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ARG . . . . . 0.481 ' HG3' ' HE ' ' B' ' 1' ' ' ARG . 2.0 mmp_? . . . . . 0 C--O 1.236 0.37 0 CA-C-O 121.423 0.63 . . . . 0.0 109.763 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 1' ' ' ARG . . . . . 0.41 ' HB2' HH21 ' B' ' 1' ' ' ARG . 3.3 ptp180 . . . . . 0 C--O 1.24 0.598 0 CA-C-O 121.622 0.725 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.607 HG13 ' O ' ' B' ' 2' ' ' VAL . 7.3 p -121.79 99.26 6.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.073 178.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 3' ' ' ARG . . . . . 0.649 ' HE ' ' NH2' ' B' ' 12' ' ' ARG . 20.7 mtp85 -84.08 156.03 22.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.937 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 4' ' ' THR . . . . . 0.648 ' O ' HG23 ' B' ' 4' ' ' THR . 13.8 t -125.96 114.4 18.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.807 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.48 ' O ' ' CB ' ' B' ' 8' ' ' ARG . 2.6 mmp_? -112.7 134.94 53.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.155 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 6' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' B' ' 5' ' ' ARG . . . 33.86 77.84 0.04 OUTLIER Glycine 0 N--CA 1.48 1.578 0 N-CA-C 110.168 -1.173 . . . . 0.0 110.168 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' B' ' 6' ' ' GLY . 9.4 pttp 37.74 38.48 0.17 Allowed 'General case' 0 N--CA 1.457 -0.125 0 CA-C-N 117.642 0.721 . . . . 0.0 110.874 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' B' ' 5' ' ' ARG . 5.8 ttm-85 -134.26 135.7 43.07 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ARG . . . . . 0.419 ' CZ ' HG21 ' B' ' 2' ' ' VAL . 4.7 tpt180 -79.51 137.38 37.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.499 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.559 ' N ' ' O ' ' B' ' 3' ' ' ARG . 4.0 mm -129.88 116.23 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.239 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.58 110.18 22.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.066 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ARG . . . . . 0.649 ' NH2' ' HE ' ' B' ' 3' ' ' ARG . 10.2 mtt180 . . . . . 0 C--O 1.238 0.464 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.627 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 1' ' ' ARG . . . . . 0.542 ' NH1' HG22 ' B' ' 10' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.464 0 CA-C-O 121.257 0.551 . . . . 0.0 111.701 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.419 ' O ' HG22 ' B' ' 2' ' ' VAL . 0.2 OUTLIER -135.95 108.26 7.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.974 178.909 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 3' ' ' ARG . . . . . 0.436 ' HA ' HH21 ' B' ' 3' ' ' ARG . 5.1 mmt-85 -100.85 155.29 18.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.636 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 5.4 p -126.19 107.09 10.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.517 ' O ' ' CB ' ' B' ' 8' ' ' ARG . 15.8 mmt180 -117.49 133.49 55.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.37 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' GLY . . . . . 0.506 ' C ' ' O ' ' B' ' 5' ' ' ARG . . . 31.11 81.03 0.01 OUTLIER Glycine 0 N--CA 1.474 1.212 0 N-CA-C 110.197 -1.161 . . . . 0.0 110.197 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' B' ' 6' ' ' GLY . 0.0 OUTLIER 35.25 39.92 0.06 Allowed 'General case' 0 C--N 1.342 0.255 0 CA-C-N 117.613 0.707 . . . . 0.0 110.813 -179.596 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.517 ' CB ' ' O ' ' B' ' 5' ' ' ARG . 1.6 ttt180 -133.87 107.93 8.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.845 179.33 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ARG . . . . . 0.406 ' C ' HD13 ' B' ' 10' ' ' ILE . 18.6 ttp85 -80.29 115.71 19.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.969 -179.411 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.542 HG22 ' NH1' ' B' ' 1' ' ' ARG . 3.6 mm -102.1 98.67 7.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.787 179.403 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.536 ' CG ' ' O ' ' B' ' 11' ' ' ARG . 8.6 ptt180 -94.93 117.33 29.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.518 -179.521 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? . . . . . 0 CA--C 1.536 0.433 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.097 179.514 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' ARG . . . . . 0.494 ' C ' ' CD ' ' B' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.243 0.716 0 CA-C-O 121.432 0.634 . . . . 0.0 111.712 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.5 p -128.66 101.55 6.95 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.978 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' ARG . . . . . 0.68 HH11 ' H ' ' B' ' 4' ' ' THR . 0.0 OUTLIER -91.71 156.72 17.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.322 -179.224 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 4' ' ' THR . . . . . 0.68 ' H ' HH11 ' B' ' 3' ' ' ARG . 17.0 p -126.45 87.34 2.65 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.671 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.505 ' O ' ' N ' ' B' ' 8' ' ' ARG . 3.8 mmm180 -91.4 131.67 36.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.496 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' B' ' 5' ' ' ARG . . . 34.92 73.25 0.1 OUTLIER Glycine 0 N--CA 1.473 1.152 0 N-CA-C 109.931 -1.268 . . . . 0.0 109.931 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.448 ' CG ' ' O ' ' B' ' 6' ' ' GLY . 16.6 pttt 40.65 37.43 0.48 Allowed 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 117.418 0.609 . . . . 0.0 110.648 -179.42 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' B' ' 5' ' ' ARG . 8.0 ttt180 -133.03 118.2 18.51 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ARG . . . . . 0.559 HH12 ' HE ' ' B' ' 11' ' ' ARG . 10.0 ttt-85 -78.73 141.63 37.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.952 -178.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' B' ' 3' ' ' ARG . 1.7 mt -125.82 108.29 19.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.327 179.072 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.559 ' HE ' HH12 ' B' ' 9' ' ' ARG . 13.1 ttm180 -93.48 105.32 17.39 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.647 0.592 . . . . 0.0 110.491 -179.206 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 69.1 mtt-85 . . . . . 0 C--O 1.235 0.334 0 CA-C-O 121.384 0.611 . . . . 0.0 110.314 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 . . . . . 0 C--O 1.24 0.566 0 CA-C-O 121.245 0.545 . . . . 0.0 111.549 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.855 HG13 ' NH2' ' B' ' 9' ' ' ARG . 19.3 t -107.38 96.22 4.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.929 178.294 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 3' ' ' ARG . . . . . 0.59 ' O ' ' N ' ' B' ' 10' ' ' ILE . 0.0 OUTLIER -85.41 135.34 33.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.059 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 4' ' ' THR . . . . . 0.59 ' O ' HG23 ' B' ' 4' ' ' THR . 4.9 t -130.61 119.2 22.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.628 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.705 ' O ' ' N ' ' B' ' 7' ' ' LYS . 51.0 mtp180 -92.99 129.35 38.94 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.241 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' B' ' 5' ' ' ARG . . . 30.95 -80.86 0.0 OUTLIER Glycine 0 N--CA 1.48 1.606 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.705 ' N ' ' O ' ' B' ' 5' ' ' ARG . 1.3 mtpm? -134.8 48.11 2.32 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-N 117.568 0.684 . . . . 0.0 110.07 178.749 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.552 ' N ' ' O ' ' B' ' 5' ' ' ARG . 47.6 mtp85 -142.6 129.89 21.05 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.965 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ARG . . . . . 0.855 ' NH2' HG13 ' B' ' 2' ' ' VAL . 0.5 OUTLIER -83.06 129.88 35.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.957 -179.696 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.59 ' N ' ' O ' ' B' ' 3' ' ' ARG . 0.4 OUTLIER -132.2 105.03 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.803 179.108 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.517 ' CG ' ' O ' ' B' ' 11' ' ' ARG . 0.8 OUTLIER -95.65 120.52 36.05 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.564 -179.37 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 46.3 mtt180 . . . . . 0 C--O 1.234 0.251 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.686 179.806 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' ARG . . . . . 0.581 ' CD ' HH12 ' B' ' 12' ' ' ARG . 3.1 ptp85 . . . . . 0 C--O 1.238 0.464 0 CA-C-O 120.93 0.395 . . . . 0.0 110.573 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.5 p -118.76 107.65 22.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.351 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' ARG . . . . . 0.684 ' CG ' HH11 ' B' ' 12' ' ' ARG . 1.8 mmm180 -83.06 152.06 25.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.944 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 4' ' ' THR . . . . . 0.651 ' O ' HG23 ' B' ' 4' ' ' THR . 14.8 t -132.22 114.72 14.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.781 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.71 ' HB2' HD11 ' B' ' 10' ' ' ILE . 3.2 ttp180 -92.33 117.79 30.26 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.564 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 45.4 -79.82 0.0 OUTLIER Glycine 0 N--CA 1.472 1.076 0 N-CA-C 110.222 -1.151 . . . . 0.0 110.222 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.671 ' N ' ' O ' ' B' ' 5' ' ' ARG . 17.9 pttt -140.3 45.01 1.86 Allowed 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.947 0.403 . . . . 0.0 110.173 179.054 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -140.87 132.65 27.4 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.301 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 10.1 tpp85 -79.24 140.23 37.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.99 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.71 HD11 ' HB2' ' B' ' 5' ' ' ARG . 5.1 mt -132.17 120.55 43.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.491 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -95.32 113.62 25.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.697 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ARG . . . . . 0.684 HH11 ' CG ' ' B' ' 3' ' ' ARG . 22.2 mtm105 . . . . . 0 C--O 1.237 0.444 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.558 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ' G' . . . . . 0.756 " O2'" ' H8 ' ' A' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.432 1.507 0 C3'-C2'-C1' 103.623 2.359 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ' G' . . . . . 0.756 ' H8 ' " O2'" ' A' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.681 0 C5'-C4'-C3' 118.254 1.836 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ' U' . . . . . 0.404 " H5'" " O2'" ' A' ' 23' ' ' ' G' . . . . . . . . 0 P--O5' 1.623 2.989 0 C5'-C4'-C3' 118.641 2.094 . 0.964 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . 0.409 " O2'" " H5'" ' A' ' 26' ' ' ' U' . . . . . . . . 0 P--O5' 1.624 3.144 0 C5'-C4'-C3' 118.971 2.314 . 0.961 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ' U' . . . . . 0.409 " H5'" " O2'" ' A' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.913 0 C5'-C4'-C3' 118.67 2.113 . 0.961 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ' U' . . . . . 0.477 " O2'" " H5'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.058 0 C5'-C4'-C3' 117.969 1.646 . 0.97 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ' G' . . . . . 0.576 ' C4 ' ' NH2' ' B' ' 3' ' ' ARG . . . . . . . . 0 P--O5' 1.621 2.778 0 C3'-C2'-C1' 103.923 2.692 OUTLIER-DELTA 0.087 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ' A' . . . . . 0.799 " O2'" ' H6 ' ' A' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.85 0 C3'-C2'-C1' 103.537 2.263 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . 0.799 ' H6 ' " O2'" ' A' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.76 0 C3'-C2'-C1' 102.987 1.652 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ' U' . . . . . 0.64 ' C4 ' ' C2 ' ' A' ' 43' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.103 0 C3'-C2'-C1' 103.137 1.819 . 0.798 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ' G' . . . . . 0.636 ' C6 ' ' C2 ' ' A' ' 42' ' ' ' A' . . . . . . . . 0 P--O5' 1.623 2.973 0 C3'-C2'-C1' 102.815 1.461 . 0.955 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ' U' . . . . . 0.441 " O2'" " H5'" ' A' ' 34' ' ' ' U' . . . . . . . . 0 P--O5' 1.622 2.93 0 C5'-C4'-C3' 118.482 1.988 . 0.973 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ' U' . . . . . 0.921 " O2'" " H5'" ' A' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.938 0 C5'-C4'-C3' 119.16 2.44 . 0.952 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ' G' . . . . . 0.921 " H5'" " O2'" ' A' ' 34' ' ' ' U' . . . . . . . . 0 P--O5' 1.619 2.553 0 C3'-C2'-C1' 103.605 2.339 . 0.896 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ' A' . . . . . 0.668 ' C8 ' " O2'" ' A' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.433 -1.652 0 C3'-C2'-C1' 103.3 2.0 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ' A' . . . . . 0.576 ' OP1' " H4'" ' A' ' 36' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.429 -1.999 0 C3'-C2'-C1' 103.506 2.229 . 0.179 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ' U' . . . . . 0.59 " O2'" " O4'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.828 0 C3'-C2'-C1' 103.699 2.443 . 0.421 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ' C' . . . . . 0.59 " O4'" " O2'" ' A' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.924 0 C3'-C2'-C1' 103.054 1.726 . 0.018 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ' U' . . . . . 0.658 ' P ' HH11 ' B' ' 9' ' ' ARG . . . . . . . . 0 P--O5' 1.622 2.911 0 C3'-C2'-C1' 102.917 1.575 . 0.976 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ' C' . . . . . 0.431 " O2'" " H5'" ' A' ' 42' ' ' ' A' . . . . . . . . 0 P--O5' 1.622 2.921 0 C3'-C2'-C1' 103.722 2.469 . 0.978 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ' A' . . . . . 0.636 ' C2 ' ' C6 ' ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -2.979 0 C5'-C4'-C3' 117.894 1.596 . 0.973 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ' U' . . . . . 0.694 " O2'" " H5'" ' A' ' 44' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.081 0 C3'-C2'-C1' 103.301 2.001 . 0.948 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ' G' . . . . . 0.694 " H5'" " O2'" ' A' ' 43' ' ' ' U' . . . . . . . . 0 P--O5' 1.619 2.588 0 C3'-C2'-C1' 103.551 2.279 . 0.808 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ' G' . . . . . 0.631 " C5'" " O2'" ' A' ' 44' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.833 0 C3'-C2'-C1' 103.104 1.782 . 0.046 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ' C' . . . . . 0.667 ' OP1' " H4'" ' A' ' 46' ' ' ' C' . . . . . . . . 0 P--O5' 1.622 2.889 0 C3'-C2'-C1' 103.01 1.678 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.804 0 C3'-C2'-C1' 103.054 1.727 . 0.886 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.861 0 C5'-C4'-C3' 118.602 2.068 . 0.965 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ' C' . . . . . 0.444 " O2'" " H5'" ' A' ' 50' ' ' ' A' . . . . . . . . 0 P--O5' 1.624 3.102 0 C5'-C4'-C3' 119.4 2.6 . 0.963 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ' A' . . . . . 0.444 " H5'" " O2'" ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.048 0 C5'-C4'-C3' 119.6 2.733 . 0.953 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ' C' . . . . . 0.489 " O2'" " H5'" ' A' ' 52' ' ' ' C' . . . . . . . . 0 P--O5' 1.625 3.245 0 C5'-C4'-C3' 119.46 2.64 . 0.949 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ' C' . . . . . 0.489 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.144 0 C3'-C2'-C1' 103.511 2.234 . 0.946 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 . . . . . 0 N--CA 1.467 0.4 0 CA-C-O 121.031 0.443 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.4 p -114.44 102.78 14.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.128 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ARG . . . . . 0.675 ' NH1' ' H62' ' A' ' 29' ' ' ' A' . 32.9 mtp180 -85.98 154.76 21.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.476 ' HA ' ' O ' ' B' ' 8' ' ' ARG . 0.1 OUTLIER -126.11 120.6 30.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.519 179.88 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.52 ' O ' ' N ' ' B' ' 8' ' ' ARG . 37.1 mtm105 -115.64 136.64 52.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.975 -179.139 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' B' ' 5' ' ' ARG . . . 35.8 49.26 1.05 Allowed Glycine 0 N--CA 1.475 1.245 0 N-CA-C 110.429 -1.068 . . . . 0.0 110.429 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm 62.22 42.24 9.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.736 0.303 . . . . 0.0 110.61 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' B' ' 5' ' ' ARG . 88.9 mtt-85 -133.32 133.51 42.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.829 179.122 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.658 HH11 ' P ' ' A' ' 40' ' ' ' U' . 0.2 OUTLIER -75.97 122.75 24.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.042 0.448 . . . . 0.0 110.971 -178.198 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.477 ' N ' ' O ' ' B' ' 3' ' ' ARG . 4.5 mm -120.25 120.05 61.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.458 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.495 ' CZ ' ' OP1' ' A' ' 39' ' ' ' C' . 11.6 ttm180 -95.27 114.59 26.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.599 -179.449 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ARG . . . . . 0.554 ' NE ' ' OP2' ' A' ' 28' ' ' ' G' . 3.2 tpm_? -128.99 98.24 4.88 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.402 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo . . . . . 0 C--N 1.313 -1.309 0 C-N-CA 122.281 1.987 . . . . 0.0 112.993 -179.769 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ' G' . . . . . 0.783 " O2'" ' H8 ' ' A' ' 23' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.532 1.667 0 C3'-C2'-C1' 103.701 2.446 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ' G' . . . . . 0.783 ' H8 ' " O2'" ' A' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.321 0 C1'-O4'-C4' 107.894 -1.896 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.727 0 O5'-C5'-C4' 112.672 1.766 . 0.971 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.615 0 C5'-C4'-C3' 118.276 1.851 . 0.963 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.634 0 C5'-C4'-C3' 117.885 1.59 . 0.959 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ' U' . . . . . 0.487 ' C6 ' ' NH2' ' B' ' 12' ' ' ARG . . . . . . . . 0 P--O5' 1.629 3.571 0 P-O3'-C3' 121.578 1.565 . 0.972 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ' G' . . . . . 0.774 " O2'" ' H8 ' ' A' ' 29' ' ' ' A' . . . . . . . . 0 P--O5' 1.625 3.165 0 C3'-C2'-C1' 103.915 2.684 OUTLIER-DELTA 0.05 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ' A' . . . . . 0.774 ' H8 ' " O2'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.519 0 C1'-O4'-C4' 108.072 -1.698 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . 0.707 " H5'" " O2'" ' A' ' 29' ' ' ' A' . . . . . . . . 0 P--O5' 1.625 3.228 0 P-O3'-C3' 122.945 2.704 . 0.935 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ' U' . . . . . 0.835 " O2'" " H5'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 P--O5' 1.63 3.705 0 C3'-C2'-C1' 104.432 3.257 . 0.081 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ' G' . . . . . 0.835 " H5'" " O2'" ' A' ' 31' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 1.999 0 C3'-C2'-C1' 103.823 2.581 . 0.195 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ' U' . . . . . 0.808 " H5'" " O2'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 P--O5' 1.616 2.311 0 P-O3'-C3' 122.283 2.152 . 0.063 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ' U' . . . . . 0.699 " O2'" " H5'" ' A' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.448 0 C3'-C2'-C1' 103.48 2.2 . 0.695 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ' G' . . . . . 0.699 " H5'" " O2'" ' A' ' 34' ' ' ' U' . . . . . . . . 0 P--O5' 1.611 1.818 0 C3'-C2'-C1' 103.94 2.711 . 0.056 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ' A' . . . . . 0.597 " H5'" " O2'" ' A' ' 35' ' ' ' G' . . . . . . . . 0 P--O5' 1.618 2.526 0 P-O3'-C3' 123.678 3.315 . 0.04 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ' A' . . . . . 0.86 H5'' ' OP2' ' A' ' 38' ' ' ' U' . . . . . . . . 0 P--O5' 1.627 3.381 0 P-O3'-C3' 122.907 2.673 . 0.906 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ' U' . . . . . 0.86 ' OP2' H5'' ' A' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.962 0 C3'-C2'-C1' 103.129 1.809 . 0.234 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ' C' . . . . . 0.65 " O2'" " H5'" ' A' ' 40' ' ' ' U' . . . . . . . . 0 P--O5' 1.626 3.265 0 C3'-C2'-C1' 102.94 1.6 . 0.973 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ' U' . . . . . 0.65 " H5'" " O2'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 P--O5' 1.621 2.821 0 C4'-C3'-C2' 105.161 2.461 . 0.851 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ' C' . . . . . 0.622 ' C6 ' " O2'" ' A' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.435 -1.482 0 C3'-C2'-C1' 103.751 2.501 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ' A' . . . . . 0.661 ' N3 ' ' C5 ' ' A' ' 43' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.499 -2.359 0 C1'-O4'-C4' 108.109 -1.657 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ' U' . . . . . 0.74 " O2'" " H5'" ' A' ' 44' ' ' ' G' . . . . . . . . 0 P--O5' 1.632 3.896 0 O4'-C4'-C3' 108.503 2.145 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ' G' . . . . . 0.74 " H5'" " O2'" ' A' ' 43' ' ' ' U' . . . . . . . . 0 P--O5' 1.615 2.175 0 C3'-C2'-C1' 103.76 2.511 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ' G' . . . . . 0.636 ' N2 ' ' H61' ' A' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.431 -1.824 0 C3'-C2'-C1' 103.953 2.726 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ' C' . . . . . 0.697 ' N4 ' HH12 ' B' ' 5' ' ' ARG . . . . . . . . 0 P--O5' 1.618 2.471 0 O5'-C5'-C4' 113.088 2.063 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ' A' . . . . . 0.43 " H5'" " O2'" ' A' ' 46' ' ' ' C' . . . . . . . . 0 P--O5' 1.628 3.503 0 O5'-C5'-C4' 112.896 1.926 . 0.954 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.571 0 O5'-C5'-C4' 112.83 1.878 . 0.957 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.548 0 C5'-C4'-C3' 118.726 2.151 . 0.96 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.738 0 C5'-C4'-C3' 118.202 1.802 . 0.958 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ' C' . . . . . 0.459 " O2'" " H5'" ' A' ' 52' ' ' ' C' . . . . . . . . 1 P--O5' 1.633 4.018 0 C5'-C4'-C3' 118.594 2.062 . 0.955 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ' C' . . . . . 0.459 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 P--O5' 1.629 3.626 0 C3'-C2'-C1' 103.377 2.085 . 0.954 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ARG . . . . . 0.454 ' NH2' ' C5 ' ' A' ' 30' ' ' ' C' . 0.1 OUTLIER . . . . . 0 C--O 1.242 0.684 0 CA-C-O 121.397 0.618 . . . . 0.0 111.043 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.4 t -119.47 98.84 6.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.478 177.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ARG . . . . . 0.836 HH21 ' H ' ' B' ' 4' ' ' THR . 0.0 OUTLIER -84.25 154.93 22.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.726 -179.191 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.836 ' H ' HH21 ' B' ' 3' ' ' ARG . 6.4 p -118.52 94.56 4.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.465 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.697 HH12 ' N4 ' ' A' ' 46' ' ' ' C' . 26.8 mmt-85 -93.87 126.89 39.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.61 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' GLY . . . . . 0.491 ' C ' ' O ' ' B' ' 5' ' ' ARG . . . 32.35 58.3 0.41 Allowed Glycine 0 N--CA 1.477 1.423 0 N-CA-C 110.241 -1.144 . . . . 0.0 110.241 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 17.9 mttm 57.27 42.9 24.48 Favored 'General case' 0 N--CA 1.462 0.137 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.547 -179.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.564 ' N ' ' O ' ' B' ' 5' ' ' ARG . 9.3 ttt180 -133.5 131.84 40.3 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.614 HH21 ' H41' ' A' ' 41' ' ' ' C' . 3.1 tpp85 -77.3 112.18 13.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.769 -178.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.458 HG21 ' CZ ' ' B' ' 12' ' ' ARG . 3.1 mm -100.79 110.41 27.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.437 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 17.2 ptt85 -94.63 96.72 9.61 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.35 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ARG . . . . . 0.567 ' NH2' ' C8 ' ' A' ' 28' ' ' ' G' . 42.6 mtm180 -120.82 103.9 9.45 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.159 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo . . . . . 0 C--N 1.311 -1.435 0 C-N-CA 122.274 1.983 . . . . 0.0 112.724 -179.787 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ' G' . . . . . 0.837 " O2'" ' H8 ' ' A' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.433 -1.689 0 C3'-C2'-C1' 103.834 2.593 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ' G' . . . . . 0.837 ' H8 ' " O2'" ' A' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.443 0 C3'-C2'-C1' 103.062 1.735 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.37 0 O5'-C5'-C4' 112.654 1.753 . 0.972 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.423 0 O5'-C5'-C4' 112.689 1.778 . 0.965 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.543 0 C3'-C2'-C1' 103.025 1.695 . 0.962 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ' U' . . . . . 0.578 " O2'" " H5'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 P--O5' 1.626 3.318 0 P-O3'-C3' 121.943 1.869 . 0.965 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ' G' . . . . . 0.639 " O2'" " O5'" ' A' ' 29' ' ' ' A' . . . . . . . . 0 P--O5' 1.624 3.108 0 O5'-C5'-C4' 112.967 1.976 . 0.704 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ' A' . . . . . 0.75 " O2'" " H5'" ' A' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.847 0 C3'-C2'-C1' 103.368 2.076 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . 0.833 " O2'" " H5'" ' A' ' 31' ' ' ' U' . . . . . . . . 0 P--O5' 1.61 1.744 0 C3'-C2'-C1' 104.064 2.849 . 0.072 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ' U' . . . . . 0.833 " H5'" " O2'" ' A' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.075 0 C4'-C3'-C2' 105.221 2.521 . 0.033 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ' G' . . . . . 0.449 " O2'" " H5'" ' A' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.429 -1.979 0 C3'-C2'-C1' 103.617 2.352 . 0.401 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ' U' . . . . . 0.896 HO2' ' H6 ' ' A' ' 34' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.071 0 C3'-C2'-C1' 103.189 1.877 . 0.26 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ' U' . . . . . 0.896 ' H6 ' HO2' ' A' ' 33' ' ' ' U' . . . . . . . . 0 P--O5' 1.617 2.44 0 C3'-C2'-C1' 103.684 2.427 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ' G' . . . . . 0.692 ' C8 ' " O2'" ' A' ' 34' ' ' ' U' . . . . . . . . 0 P--O5' 1.617 2.4 0 P-O3'-C3' 122.321 2.184 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ' A' . . . . . 0.676 ' H8 ' " O2'" ' A' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.442 2.332 0 P-O3'-C3' 123.694 3.328 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ' A' . . . . . 0.593 ' OP1' ' C5 ' ' A' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.428 -2.051 0 P-O3'-C3' 122.579 2.399 . 0.657 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ' U' . . . . . 0.593 ' C5 ' ' OP1' ' A' ' 37' ' ' ' A' . . . . . . . . 0 P--O5' 1.614 2.115 0 C3'-C2'-C1' 102.921 1.579 . 0.833 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ' C' . . . . . 0.545 ' N4 ' ' C4 ' ' A' ' 38' ' ' ' U' . . . . . . . . 0 P--O5' 1.623 3.044 0 C3'-C2'-C1' 103.389 2.099 . 0.95 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ' U' . . . . . 0.463 " H5'" " O2'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 P--O5' 1.624 3.093 0 C3'-C2'-C1' 103.06 1.733 . 0.956 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ' C' . . . . . 0.404 " O2'" " H5'" ' A' ' 42' ' ' ' A' . . . . . . . . 0 P--O5' 1.628 3.452 0 C3'-C2'-C1' 103.684 2.427 . 0.978 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ' A' . . . . . 0.672 ' H62' HH12 ' B' ' 1' ' ' ARG . . . . . . . . 0 P--O5' 1.626 3.271 0 C3'-C2'-C1' 103.167 1.852 . 0.981 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ' U' . . . . . 0.54 ' OP2' HG21 ' B' ' 4' ' ' THR . . . . . . . . 0 P--O5' 1.627 3.356 0 C3'-C2'-C1' 103.354 2.06 . 0.975 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ' G' . . . . . 0.48 " O2'" " H5'" ' A' ' 45' ' ' ' G' . . . . . . . . 0 P--O5' 1.625 3.165 0 C3'-C2'-C1' 102.891 1.546 . 0.754 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ' G' . . . . . 0.561 " O2'" " O5'" ' A' ' 46' ' ' ' C' . . . . . . . . 0 P--O5' 1.621 2.75 0 C3'-C2'-C1' 103.948 2.719 . 0.278 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ' C' . . . . . 0.735 " O2'" ' H8 ' ' A' ' 47' ' ' ' A' . . . . . . . . 0 P--O5' 1.612 1.908 0 C4'-C3'-C2' 105.428 2.728 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ' A' . . . . . 0.735 ' H8 ' " O2'" ' A' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.539 0 C3'-C2'-C1' 103.138 1.821 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.163 0 O5'-C5'-C4' 112.848 1.892 . 0.962 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.412 0 C5'-C4'-C3' 118.491 1.994 . 0.962 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.558 0 C3'-C2'-C1' 103.268 1.964 . 0.958 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ' C' . . . . . 0.471 " O2'" " H5'" ' A' ' 52' ' ' ' C' . . . . . . . . 0 P--O5' 1.629 3.571 0 P-O3'-C3' 122.168 2.057 . 0.952 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ' C' . . . . . 0.471 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 P--O5' 1.627 3.409 0 C3'-C2'-C1' 103.455 2.172 . 0.953 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ARG . . . . . 0.689 ' CZ ' ' H ' ' B' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.899 0.38 . . . . 0.0 110.119 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.689 ' H ' ' CZ ' ' B' ' 1' ' ' ARG . 6.8 m -115.44 92.95 2.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.226 178.416 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ARG . . . . . 0.69 ' NH2' ' NH1' ' B' ' 12' ' ' ARG . 8.3 mtp180 -83.88 156.61 22.32 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 120.974 0.416 . . . . 0.0 110.451 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.724 HG23 ' O ' ' B' ' 4' ' ' THR . 13.0 t -129.14 107.14 9.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.813 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.553 ' NH2' ' H41' ' A' ' 46' ' ' ' C' . 5.8 ttp180 -111.62 135.23 52.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.999 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' B' ' 5' ' ' ARG . . . 34.26 74.46 0.07 OUTLIER Glycine 0 N--CA 1.473 1.159 0 N-CA-C 110.109 -1.197 . . . . 0.0 110.109 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.424 ' CG ' ' O ' ' B' ' 6' ' ' GLY . 0.2 OUTLIER 39.41 39.97 0.52 Allowed 'General case' 0 C--O 1.231 0.116 0 CA-C-N 117.463 0.631 . . . . 0.0 110.89 -179.524 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' B' ' 5' ' ' ARG . 10.0 ttt180 -133.46 126.11 30.46 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 -78.88 112.46 16.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.896 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.678 ' CG2' ' HE ' ' B' ' 12' ' ' ARG . 11.5 mm -99.8 116.97 44.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.995 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -95.64 109.89 22.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.593 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ARG . . . . . 0.69 ' NH1' ' NH2' ' B' ' 3' ' ' ARG . 21.8 mtt180 -124.14 88.19 2.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.553 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo . . . . . 0 C--N 1.314 -1.285 0 C-N-CA 122.317 2.011 . . . . 0.0 111.427 179.682 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ' G' . . . . . 0.752 " O2'" ' H8 ' ' A' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.433 -1.635 0 C3'-C2'-C1' 103.633 2.37 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ' G' . . . . . 0.752 ' H8 ' " O2'" ' A' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C3'-C2'-C1' 103.102 1.78 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ' U' . . . . . 0.414 " H5'" " O2'" ' A' ' 23' ' ' ' G' . . . . . . . . 0 P--O5' 1.626 3.269 0 C5'-C4'-C3' 118.277 1.851 . 0.964 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . 0.413 " O2'" " H5'" ' A' ' 26' ' ' ' U' . . . . . . . . 0 P--O5' 1.626 3.316 0 C5'-C4'-C3' 118.596 2.064 . 0.958 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ' U' . . . . . 0.413 " H5'" " O2'" ' A' ' 25' ' ' ' G' . . . . . . . . 0 P--O5' 1.626 3.251 0 C5'-C4'-C3' 118.319 1.88 . 0.958 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ' U' . . . . . 0.458 ' C5 ' ' NH1' ' B' ' 12' ' ' ARG . . . . . . . . 0 P--O5' 1.624 3.11 0 C3'-C2'-C1' 103.044 1.715 . 0.964 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ' G' . . . . . 0.588 ' N7 ' ' CZ ' ' B' ' 12' ' ' ARG . . . . . . . . 0 O4'--C4' 1.413 -3.368 0 O5'-C5'-C4' 112.661 1.758 . 0.974 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ' A' . . . . . 0.68 " O2'" ' H6 ' ' A' ' 30' ' ' ' C' . . . . . . . . 0 P--O5' 1.621 2.767 0 C3'-C2'-C1' 103.746 2.496 . 0.457 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . 0.68 ' H6 ' " O2'" ' A' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.737 0 C1'-O4'-C4' 108.185 -1.573 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ' U' . . . . . 0.548 ' N3 ' " O4'" ' A' ' 43' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.837 0 C3'-C2'-C1' 104.64 3.489 . 0.247 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ' G' . . . . . 0.59 " O2'" " H5'" ' A' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.674 0 C3'-C2'-C1' 103.108 1.786 . 0.231 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ' U' . . . . . 0.59 " H5'" " O2'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 P--O5' 1.617 2.402 0 C3'-C2'-C1' 104.095 2.883 . 0.749 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ' U' . . . . . 0.575 " O2'" " H5'" ' A' ' 35' ' ' ' G' . . . . . . . . 0 P--O5' 1.624 3.114 0 C3'-C2'-C1' 103.524 2.249 . 0.034 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ' G' . . . . . 0.593 ' N2 ' ' N6 ' ' A' ' 36' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.43 -1.954 0 C3'-C2'-C1' 103.166 1.851 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ' A' . . . . . 0.593 ' N6 ' ' N2 ' ' A' ' 35' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.933 0 C3'-C2'-C1' 103.537 2.263 . 0.123 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.892 0 C3'-C2'-C1' 103.487 2.208 . 0.196 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ' U' . . . . . 0.668 " O2'" " C5'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 P--O5' 1.612 1.93 0 C3'-C2'-C1' 103.482 2.202 . 0.478 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ' C' . . . . . 0.811 " O2'" ' H6 ' ' A' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.435 1.718 0 C4'-C3'-C2' 104.966 2.266 . 0.024 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ' U' . . . . . 0.878 " O2'" ' H6 ' ' A' ' 41' ' ' ' C' . . . . . . . . 0 P--O5' 1.616 2.266 0 C3'-C2'-C1' 103.579 2.31 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ' C' . . . . . 0.878 ' H6 ' " O2'" ' A' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.141 0 C3'-C2'-C1' 103.971 2.745 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ' A' . . . . . 0.771 ' N6 ' HG13 ' B' ' 2' ' ' VAL . . . . . . . . 0 P--O5' 1.617 2.381 0 C5'-C4'-C3' 117.676 1.45 . 0.971 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ' U' . . . . . 0.548 " O4'" ' N3 ' ' A' ' 31' ' ' ' U' . . . . . . . . 0 P--O5' 1.628 3.468 0 C1'-O4'-C4' 107.116 -2.759 . 0.95 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ' G' . . . . . 0.493 " O2'" " O5'" ' A' ' 45' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.216 0 C3'-C2'-C1' 103.418 2.131 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ' G' . . . . . 0.648 " O2'" " H5'" ' A' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.154 0 C3'-C2'-C1' 103.895 2.661 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ' C' . . . . . 0.648 " H5'" " O2'" ' A' ' 45' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.181 0 P-O3'-C3' 121.464 1.47 . 0.083 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ' A' . . . . . 0.443 " H5'" " O2'" ' A' ' 46' ' ' ' C' . . . . . . . . 0 P--O5' 1.622 2.886 0 P-O3'-C3' 121.753 1.711 . 0.96 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.156 0 C5'-C4'-C3' 117.998 1.665 . 0.964 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ' C' . . . . . 0.438 " O2'" " H5'" ' A' ' 50' ' ' ' A' . . . . . . . . 0 P--O5' 1.624 3.117 0 C5'-C4'-C3' 118.969 2.313 . 0.963 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ' A' . . . . . 0.438 " H5'" " O2'" ' A' ' 49' ' ' ' C' . . . . . . . . 0 P--O5' 1.626 3.255 0 C5'-C4'-C3' 118.906 2.271 . 0.952 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ' C' . . . . . 0.474 " O2'" " H5'" ' A' ' 52' ' ' ' C' . . . . . . . . 0 P--O5' 1.627 3.43 0 C5'-C4'-C3' 118.908 2.272 . 0.949 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ' C' . . . . . 0.474 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 P--O5' 1.624 3.148 0 C3'-C2'-C1' 103.46 2.178 . 0.951 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ARG . . . . . 0.51 ' NH2' ' P ' ' A' ' 29' ' ' ' A' . 1.8 ptp85 . . . . . 0 N--CA 1.469 0.511 0 CA-C-O 121.25 0.548 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.771 HG13 ' N6 ' ' A' ' 42' ' ' ' A' . 1.4 p -127.41 105.92 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.036 179.245 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ARG . . . . . 0.668 ' NE ' ' C5 ' ' A' ' 29' ' ' ' A' . 56.0 mtt-85 -83.57 156.51 22.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.925 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.582 HG23 ' O ' ' B' ' 4' ' ' THR . 5.2 t -129.44 118.61 22.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.432 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.673 ' O ' ' N ' ' B' ' 7' ' ' LYS . 10.6 mtp-105 -92.46 113.54 25.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.518 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 42.23 -80.09 0.0 OUTLIER Glycine 0 N--CA 1.485 1.941 0 N-CA-C 110.051 -1.219 . . . . 0.0 110.051 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.673 ' N ' ' O ' ' B' ' 5' ' ' ARG . 9.1 pttm -133.86 45.59 2.63 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 117.578 0.689 . . . . 0.0 110.05 179.178 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' B' ' 5' ' ' ARG . 35.4 ttt180 -144.3 147.24 33.26 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -94.77 137.09 34.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.059 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.556 ' N ' ' O ' ' B' ' 3' ' ' ARG . 3.8 mm -127.6 115.7 40.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.237 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -94.06 119.44 32.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.404 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ARG . . . . . 0.588 ' CZ ' ' N7 ' ' A' ' 28' ' ' ' G' . 5.1 mtt-85 -130.53 85.18 2.26 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.654 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo . . . . . 0 C--N 1.309 -1.525 0 C-N-CA 122.298 1.998 . . . . 0.0 114.087 -178.75 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ' G' . . . . . 0.775 " O2'" ' H8 ' ' A' ' 23' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.531 1.608 0 C3'-C2'-C1' 103.695 2.439 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ' G' . . . . . 0.775 ' H8 ' " O2'" ' A' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.515 0 C3'-C2'-C1' 102.997 1.663 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.406 0 O5'-C5'-C4' 112.679 1.771 . 0.97 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.311 0 C5'-C4'-C3' 118.282 1.855 . 0.963 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.441 0 C5'-C4'-C3' 117.936 1.624 . 0.963 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ' U' . . . . . 0.455 " O2'" " H5'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 P--O5' 1.626 3.288 0 P-O3'-C3' 121.425 1.437 . 0.974 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ' G' . . . . . 0.759 HO2' ' H8 ' ' A' ' 29' ' ' ' A' . . . . . . . . 0 P--O5' 1.622 2.941 0 C4'-C3'-C2' 105.056 2.356 . 0.345 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ' A' . . . . . 0.759 ' H8 ' HO2' ' A' ' 28' ' ' ' G' . . . . . . . . 0 P--O5' 1.616 2.34 0 C3'-C2'-C1' 103.563 2.292 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . 0.608 " C5'" " O2'" ' A' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.015 0 O4'-C1'-N19 106.055 -2.145 . 0.051 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ' U' . . . . . 0.522 ' C5 ' ' O2 ' ' A' ' 30' ' ' ' C' . . . . . . . . 0 P--O5' 1.616 2.338 0 C3'-C2'-C1' 103.399 2.11 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ' G' . . . . . 0.488 ' N7 ' ' OP2' ' A' ' 31' ' ' ' U' . . . . . . . . 0 P--O5' 1.62 2.719 0 C4'-C3'-C2' 104.572 1.872 . 0.166 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.141 0 C3'-C2'-C1' 103.441 2.157 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ' U' . . . . . 0.731 " O2'" " H5'" ' A' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.9 0 C3'-C2'-C1' 104.027 2.807 . 0.775 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ' G' . . . . . 0.731 " H5'" " O2'" ' A' ' 34' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.918 0 C3'-C2'-C1' 103.554 2.283 . 0.927 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ' A' . . . . . 0.715 ' C8 ' " O2'" ' A' ' 35' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.087 0 P-O3'-C3' 123.149 2.874 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ' A' . . . . . 0.59 ' C8 ' " O2'" ' A' ' 36' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.434 1.688 0 P-O3'-C3' 123.389 3.074 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ' U' . . . . . 0.624 " O2'" " C5'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.869 0 C3'-C2'-C1' 104.034 2.816 . 0.496 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ' C' . . . . . 0.652 " O2'" " H5'" ' A' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.09 0 C3'-C2'-C1' 103.186 1.874 . 0.044 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ' U' . . . . . 0.862 " O2'" ' H6 ' ' A' ' 41' ' ' ' C' . . . . . . . . 0 P--O5' 1.619 2.596 0 C3'-C2'-C1' 103.778 2.531 . 0.469 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ' C' . . . . . 0.862 ' H6 ' " O2'" ' A' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.07 0 C3'-C2'-C1' 103.83 2.589 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ' A' . . . . . 0.648 ' C6 ' ' C5 ' ' A' ' 43' ' ' ' U' . . . . . . . . 0 P--O5' 1.626 3.268 0 C3'-C2'-C1' 103.164 1.848 . 0.985 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ' U' . . . . . 0.648 ' C5 ' ' C6 ' ' A' ' 42' ' ' ' A' . . . . . . . . 0 P--O5' 1.616 2.283 0 C3'-C2'-C1' 102.97 1.634 . 0.654 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ' G' . . . . . 0.757 HO2' ' H8 ' ' A' ' 45' ' ' ' G' . . . . . . . . 0 P--O5' 1.616 2.318 0 C3'-C2'-C1' 103.461 2.179 . 0.141 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ' G' . . . . . 0.757 ' H8 ' HO2' ' A' ' 44' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.429 0 P-O3'-C3' 121.64 1.617 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ' C' . . . . . 0.628 " H5'" " O2'" ' A' ' 45' ' ' ' G' . . . . . . . . 0 P--O5' 1.628 3.522 0 P-O3'-C3' 122.491 2.326 . 0.931 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ' A' . . . . . 0.445 " H5'" " O2'" ' A' ' 46' ' ' ' C' . . . . . . . . 0 P--O5' 1.625 3.234 0 P-O3'-C3' 121.978 1.898 . 0.948 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.354 0 O5'-C5'-C4' 112.658 1.756 . 0.958 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.377 0 C5'-C4'-C3' 118.642 2.095 . 0.963 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.584 0 C5'-C4'-C3' 118.218 1.812 . 0.958 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ' C' . . . . . 0.467 " O2'" " H5'" ' A' ' 52' ' ' ' C' . . . . . . . . 0 P--O5' 1.629 3.631 0 C5'-C4'-C3' 118.68 2.12 . 0.952 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ' C' . . . . . 0.467 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 P--O5' 1.627 3.42 0 C3'-C2'-C1' 103.524 2.248 . 0.955 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ARG . . . . . 0.513 ' CB ' ' N3 ' ' A' ' 30' ' ' ' C' . 0.1 OUTLIER . . . . . 0 N--CA 1.472 0.661 0 CA-C-O 121.131 0.491 . . . . 0.0 111.737 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.9 p -135.47 100.47 2.65 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.823 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ARG . . . . . 0.418 ' CD ' ' N1 ' ' A' ' 29' ' ' ' A' . 0.1 OUTLIER -96.4 156.43 16.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.094 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 1.9 p -116.36 121.03 40.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.714 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.607 ' NH1' ' N7 ' ' A' ' 28' ' ' ' G' . 57.1 mtt180 -119.25 132.08 55.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.272 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' GLY . . . . . 0.475 ' C ' ' O ' ' B' ' 5' ' ' ARG . . . 33.83 53.81 0.66 Allowed Glycine 0 N--CA 1.48 1.633 0 N-CA-C 109.997 -1.241 . . . . 0.0 109.997 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 12.9 mptt 57.89 44.92 19.16 Favored 'General case' 0 C--O 1.23 0.06 0 CA-C-O 120.842 0.353 . . . . 0.0 110.603 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.531 ' N ' ' O ' ' B' ' 5' ' ' ARG . 6.9 ttt85 -133.83 133.19 41.29 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -77.76 112.57 14.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.147 -178.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.445 HG21 ' CZ ' ' B' ' 5' ' ' ARG . 10.8 mm -103.88 96.2 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.629 179.347 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -94.69 105.25 17.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.171 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ARG . . . . . 0.568 ' NE ' ' OP2' ' A' ' 28' ' ' ' G' . 2.0 mmp_? -117.98 95.41 4.9 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.423 0.63 . . . . 0.0 109.763 -179.545 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo . . . . . 0 N--CA 1.493 1.475 0 C-N-CA 122.322 2.015 . . . . 0.0 113.437 -179.527 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ' G' . . . . . 0.796 " O2'" ' H8 ' ' A' ' 23' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.53 1.563 0 C3'-C2'-C1' 103.656 2.396 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ' G' . . . . . 0.796 ' H8 ' " O2'" ' A' ' 22' ' ' ' G' . . . . . . . . 0 P--O5' 1.62 2.688 0 C3'-C2'-C1' 103.177 1.864 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.053 0 O5'-C5'-C4' 112.582 1.702 . 0.97 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.633 4.038 0 C5'-C4'-C3' 118.127 1.751 . 0.96 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.633 4.029 0 C3'-C2'-C1' 103.013 1.681 . 0.962 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ' U' . . . . . 0.47 " O2'" " H5'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 P--O5' 1.632 3.931 0 P-O3'-C3' 121.496 1.497 . 0.972 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ' G' . . . . . 0.643 ' N7 ' ' NH2' ' B' ' 12' ' ' ARG . . . . . . . . 0 P--O5' 1.627 3.369 0 C3'-C2'-C1' 104.156 2.951 OUTLIER-DELTA 0.108 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ' A' . . . . . 0.845 HO2' ' H6 ' ' A' ' 30' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.16 0 C3'-C2'-C1' 103.88 2.645 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . 0.845 ' H6 ' HO2' ' A' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.805 0 C3'-C2'-C1' 103.295 1.995 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ' U' . . . . . 0.749 " O2'" " H5'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 P--O5' 1.627 3.413 0 C3'-C2'-C1' 104.309 3.122 OUTLIER-DELTA 0.17 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ' G' . . . . . 0.896 " O2'" " H2'" ' A' ' 33' ' ' ' U' . . . . . . . . 0 P--O5' 1.616 2.257 0 C3'-C2'-C1' 103.826 2.584 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ' U' . . . . . 0.896 " H2'" " O2'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.345 0 O4'-C4'-C3' 108.251 1.965 . 0.311 2z . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ' U' . . . . . 0.514 ' C6 ' " O4'" ' A' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.368 0 C3'-C2'-C1' 103.561 2.29 . 0.789 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ' G' . . . . . 0.839 ' OP2' ' H8 ' ' A' ' 35' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.893 0 C3'-C2'-C1' 103.388 2.098 . 0.034 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ' A' . . . . . 0.657 " H5'" " O2'" ' A' ' 35' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.103 0 C3'-C2'-C1' 103.7 2.444 . 0.045 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ' A' . . . . . 0.62 ' H8 ' " O5'" ' A' ' 37' ' ' ' A' . . . . . . . . 0 P--O5' 1.612 1.943 0 C3'-C2'-C1' 104.041 2.824 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ' U' . . . . . 0.4 " O2'" " O5'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.836 0 C3'-C2'-C1' 103.515 2.239 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ' C' . . . . . 0.475 ' OP2' ' NH1' ' B' ' 11' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.717 0 C3'-C2'-C1' 103.153 1.836 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.939 0 C3'-C2'-C1' 103.009 1.676 . 0.904 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ' C' . . . . . 0.507 ' OP2' ' NH2' ' B' ' 9' ' ' ARG . . . . . . . . 0 P--O5' 1.629 3.647 0 C3'-C2'-C1' 103.664 2.404 . 0.982 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ' A' . . . . . 0.549 ' H62' HG13 ' B' ' 2' ' ' VAL . . . . . . . . 0 P--O5' 1.628 3.547 0 C3'-C2'-C1' 102.916 1.573 . 0.98 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ' U' . . . . . 0.761 " O2'" ' H8 ' ' A' ' 44' ' ' ' G' . . . . . . . . 1 P--O5' 1.634 4.117 0 C3'-C2'-C1' 103.352 2.058 . 0.966 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ' G' . . . . . 0.761 ' H8 ' " O2'" ' A' ' 43' ' ' ' U' . . . . . . . . 0 P--O5' 1.625 3.174 0 C3'-C2'-C1' 103.595 2.328 . 0.9 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ' G' . . . . . 0.644 " O2'" " C5'" ' A' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.43 -1.911 0 C3'-C2'-C1' 103.735 2.483 . 0.881 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ' C' . . . . . 0.644 " C5'" " O2'" ' A' ' 45' ' ' ' G' . . . . . . . . 0 P--O5' 1.624 3.115 0 P-O3'-C3' 123.453 3.128 . 0.01 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ' A' . . . . . 0.457 " H5'" " O2'" ' A' ' 46' ' ' ' C' . . . . . . . . 0 P--O5' 1.628 3.525 0 P-O3'-C3' 122.402 2.251 . 0.953 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.877 0 P-O3'-C3' 121.838 1.781 . 0.96 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.633 4.027 0 C5'-C4'-C3' 118.42 1.947 . 0.962 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.125 0 C3'-C2'-C1' 103.181 1.867 . 0.957 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ' C' . . . . . 0.472 " O2'" " H5'" ' A' ' 52' ' ' ' C' . . . . . . . . 1 P--O5' 1.637 4.44 0 C5'-C4'-C3' 118.492 1.994 . 0.952 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ' C' . . . . . 0.472 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 P--O5' 1.631 3.831 0 C3'-C2'-C1' 103.339 2.043 . 0.95 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ARG . . . . . 0.41 ' HB2' HH21 ' B' ' 1' ' ' ARG . 3.3 ptp180 . . . . . 0 C--O 1.24 0.598 0 CA-C-O 121.622 0.725 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.607 HG13 ' O ' ' B' ' 2' ' ' VAL . 7.3 p -121.79 99.26 6.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.073 178.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ARG . . . . . 0.698 HH21 ' N4 ' ' A' ' 30' ' ' ' C' . 20.7 mtp85 -84.08 156.03 22.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.937 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.648 HG23 ' O ' ' B' ' 4' ' ' THR . 13.8 t -125.96 114.4 18.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.807 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.48 ' O ' ' CB ' ' B' ' 8' ' ' ARG . 2.6 mmp_? -112.7 134.94 53.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.155 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' B' ' 5' ' ' ARG . . . 33.86 77.84 0.04 OUTLIER Glycine 0 N--CA 1.48 1.578 0 N-CA-C 110.168 -1.173 . . . . 0.0 110.168 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' B' ' 6' ' ' GLY . 9.4 pttp 37.74 38.48 0.17 Allowed 'General case' 0 N--CA 1.457 -0.125 0 CA-C-N 117.642 0.721 . . . . 0.0 110.874 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' B' ' 5' ' ' ARG . 5.8 ttm-85 -134.26 135.7 43.07 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.507 ' NH2' ' OP2' ' A' ' 41' ' ' ' C' . 4.7 tpt180 -79.51 137.38 37.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.499 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.559 ' N ' ' O ' ' B' ' 3' ' ' ARG . 4.0 mm -129.88 116.23 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.239 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.475 ' NH1' ' OP2' ' A' ' 39' ' ' ' C' . 0.0 OUTLIER -95.58 110.18 22.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.066 -179.755 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ARG . . . . . 0.649 ' NH2' ' HE ' ' B' ' 3' ' ' ARG . 10.2 mtt180 -129.74 112.74 13.92 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.627 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo . . . . . 0 N--CA 1.493 1.496 0 C-N-CA 122.289 1.993 . . . . 0.0 112.703 -179.804 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ' G' . . . . . 0.787 " O2'" ' H8 ' ' A' ' 23' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.53 1.517 0 C3'-C2'-C1' 103.62 2.355 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ' G' . . . . . 0.787 ' H8 ' " O2'" ' A' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.623 0 C3'-C2'-C1' 103.15 1.834 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.336 0 O5'-C5'-C4' 112.812 1.866 . 0.969 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . 0.422 " O2'" " H5'" ' A' ' 26' ' ' ' U' . . . . . . . . 0 P--O5' 1.627 3.353 0 C5'-C4'-C3' 118.335 1.89 . 0.961 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ' U' . . . . . 0.442 " O2'" " H5'" ' A' ' 27' ' ' ' U' . . . . . . . . 0 P--O5' 1.627 3.431 0 C5'-C4'-C3' 118.385 1.923 . 0.956 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ' U' . . . . . 0.632 " O2'" " H5'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 P--O5' 1.626 3.284 0 P-O3'-C3' 121.872 1.81 . 0.959 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ' G' . . . . . 0.632 " H5'" " O2'" ' A' ' 27' ' ' ' U' . . . . . . . . 0 P--O5' 1.622 2.92 0 C3'-C2'-C1' 103.88 2.644 OUTLIER-DELTA 0.141 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ' A' . . . . . 0.607 ' H62' ' N2 ' ' A' ' 45' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.565 0 C3'-C2'-C1' 103.327 2.03 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . 0.654 ' N4 ' ' NH1' ' B' ' 5' ' ' ARG . . . . . . . . 0 O4'--C4' 1.423 -2.516 0 C3'-C2'-C1' 104.454 3.282 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.481 0 C3'-C2'-C1' 104.697 3.553 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ' G' . . . . . 0.537 " O2'" " H5'" ' A' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.593 0 C3'-C2'-C1' 102.993 1.659 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ' U' . . . . . 0.537 " H5'" " O2'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 P--O5' 1.621 2.835 0 P-O3'-C3' 122.465 2.304 . 0.772 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ' U' . . . . . 0.794 " O2'" " H5'" ' A' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.489 0 C3'-C2'-C1' 104.026 2.807 . 0.56 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ' G' . . . . . 0.816 HO2' ' H8 ' ' A' ' 36' ' ' ' A' . . . . . . . . 0 P--O5' 1.615 2.219 0 C4'-C3'-C2' 104.967 2.267 . 0.919 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ' A' . . . . . 1.016 " O2'" " H5'" ' A' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.421 0 P-O3'-C3' 123.888 3.49 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ' A' . . . . . 1.016 " H5'" " O2'" ' A' ' 36' ' ' ' A' . . . . . . . . 0 P--O5' 1.62 2.664 0 P-O3'-C3' 123.96 3.55 . 0.856 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ' U' . . . . . 0.739 ' OP2' " H4'" ' A' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.429 -2.018 0 C3'-C2'-C1' 103.855 2.617 . 0.16 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ' C' . . . . . 0.644 " O2'" " H5'" ' A' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.782 0 C3'-C2'-C1' 103.27 1.966 . 0.055 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ' U' . . . . . 0.866 " O2'" ' H6 ' ' A' ' 41' ' ' ' C' . . . . . . . . 0 P--O5' 1.618 2.472 0 C4'-C3'-C2' 104.769 2.069 . 0.883 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ' C' . . . . . 0.866 ' H6 ' " O2'" ' A' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.135 0 C3'-C2'-C1' 103.927 2.697 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ' A' . . . . . 0.796 ' N3 ' " H2'" ' A' ' 42' ' ' ' A' . . . . . . . . 0 P--O5' 1.623 3.006 0 P-O3'-C3' 121.644 1.62 . 0.93 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ' U' . . . . . 0.676 " O2'" " C5'" ' A' ' 44' ' ' ' G' . . . . . . . . 0 P--O5' 1.628 3.546 0 C3'-C2'-C1' 103.921 2.689 OUTLIER-DELTA 0.086 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ' G' . . . . . 0.676 " C5'" " O2'" ' A' ' 43' ' ' ' U' . . . . . . . . 0 P--O5' 1.615 2.18 0 C3'-C2'-C1' 104.005 2.783 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ' G' . . . . . 0.65 ' H8 ' " O5'" ' A' ' 45' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.431 -1.855 0 C3'-C2'-C1' 103.818 2.575 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ' C' . . . . . 0.778 HO2' ' H8 ' ' A' ' 47' ' ' ' A' . . . . . . . . 0 P--O5' 1.615 2.173 0 C3'-C2'-C1' 103.742 2.491 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ' A' . . . . . 0.778 ' H8 ' HO2' ' A' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.583 0 C3'-C2'-C1' 103.292 1.991 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.173 0 O5'-C5'-C4' 113.018 2.013 . 0.958 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ' C' . . . . . 0.426 " O2'" " H5'" ' A' ' 50' ' ' ' A' . . . . . . . . 0 P--O5' 1.627 3.368 0 C5'-C4'-C3' 118.701 2.134 . 0.957 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ' A' . . . . . 0.426 " H5'" " O2'" ' A' ' 49' ' ' ' C' . . . . . . . . 0 P--O5' 1.628 3.535 0 C3'-C2'-C1' 103.34 2.044 . 0.953 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ' C' . . . . . 0.467 " O2'" " H5'" ' A' ' 52' ' ' ' C' . . . . . . . . 0 P--O5' 1.629 3.645 0 C5'-C4'-C3' 118.588 2.059 . 0.952 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ' C' . . . . . 0.467 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 P--O5' 1.625 3.211 0 C3'-C2'-C1' 103.342 2.047 . 0.952 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ARG . . . . . 0.542 ' NH1' HG22 ' B' ' 10' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.464 0 CA-C-O 121.257 0.551 . . . . 0.0 111.701 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.419 ' O ' HG22 ' B' ' 2' ' ' VAL . 0.2 OUTLIER -135.95 108.26 7.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.974 178.909 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ARG . . . . . 0.571 ' NH2' ' C5 ' ' A' ' 43' ' ' ' U' . 5.1 mmt-85 -100.85 155.29 18.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.636 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.6 ' OG1' ' N6 ' ' A' ' 42' ' ' ' A' . 5.4 p -126.19 107.09 10.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.411 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.654 ' NH1' ' N4 ' ' A' ' 30' ' ' ' C' . 15.8 mmt180 -117.49 133.49 55.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.37 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' GLY . . . . . 0.506 ' C ' ' O ' ' B' ' 5' ' ' ARG . . . 31.11 81.03 0.01 OUTLIER Glycine 0 N--CA 1.474 1.212 0 N-CA-C 110.197 -1.161 . . . . 0.0 110.197 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' B' ' 6' ' ' GLY . 0.0 OUTLIER 35.25 39.92 0.06 Allowed 'General case' 0 C--N 1.342 0.255 0 CA-C-N 117.613 0.707 . . . . 0.0 110.813 -179.596 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.517 ' CB ' ' O ' ' B' ' 5' ' ' ARG . 1.6 ttt180 -133.87 107.93 8.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.845 179.33 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.406 ' C ' HD13 ' B' ' 10' ' ' ILE . 18.6 ttp85 -80.29 115.71 19.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.969 -179.411 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.542 HG22 ' NH1' ' B' ' 1' ' ' ARG . 3.6 mm -102.1 98.67 7.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.787 179.403 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.536 ' O ' ' CG ' ' B' ' 11' ' ' ARG . 8.6 ptt180 -94.93 117.33 29.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.518 -179.521 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ARG . . . . . 0.57 ' NE ' ' OP2' ' A' ' 29' ' ' ' A' . 2.4 tmt_? -133.76 102.94 5.65 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.097 179.514 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo . . . . . 0 N--CA 1.492 1.419 0 C-N-CA 122.255 1.97 . . . . 0.0 113.528 -179.427 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ' G' . . . . . 0.777 " O2'" ' H8 ' ' A' ' 23' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.531 1.639 0 C3'-C2'-C1' 103.637 2.374 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ' G' . . . . . 0.777 ' H8 ' " O2'" ' A' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.535 0 C3'-C2'-C1' 102.951 1.613 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.225 0 O5'-C5'-C4' 112.635 1.74 . 0.969 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.236 0 C5'-C4'-C3' 118.355 1.903 . 0.963 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ' U' . . . . . 0.463 ' OP2' ' NH1' ' B' ' 8' ' ' ARG . . . . . . . . 0 P--O5' 1.626 3.334 0 C5'-C4'-C3' 118.245 1.83 . 0.96 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ' U' . . . . . 0.405 " O2'" " H5'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 P--O5' 1.625 3.202 0 C3'-C2'-C1' 102.99 1.655 . 0.965 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ' G' . . . . . 0.461 ' N1 ' ' N6 ' ' A' ' 29' ' ' ' A' . . . . . . . . 0 P--O5' 1.625 3.221 0 C3'-C2'-C1' 103.099 1.777 . 0.972 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ' A' . . . . . 0.867 HO2' ' H6 ' ' A' ' 30' ' ' ' C' . . . . . . . . 0 P--O5' 1.621 2.81 0 C3'-C2'-C1' 104.089 2.877 . 0.199 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . 0.867 ' H6 ' HO2' ' A' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.081 0 C3'-C2'-C1' 103.021 1.69 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ' U' . . . . . 0.702 " O2'" " H5'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.897 0 C3'-C2'-C1' 103.483 2.203 . 0.887 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ' G' . . . . . 0.702 " H5'" " O2'" ' A' ' 31' ' ' ' U' . . . . . . . . 0 P--O5' 1.619 2.621 0 P-O3'-C3' 122.26 2.133 . 0.907 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.98 0 P-O3'-C3' 123.201 2.918 . 0.886 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ' U' . . . . . 0.506 ' O4 ' ' N3 ' ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.664 0 C3'-C2'-C1' 103.682 2.425 . 0.73 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ' G' . . . . . 0.606 ' C6 ' ' N1 ' ' A' ' 36' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.147 0 C3'-C2'-C1' 104.032 2.813 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ' A' . . . . . 0.759 " O2'" " H5'" ' A' ' 37' ' ' ' A' . . . . . . . . 0 P--O5' 1.613 2.042 0 C3'-C2'-C1' 103.254 1.949 . 0.865 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ' A' . . . . . 0.759 " H5'" " O2'" ' A' ' 36' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.434 -1.566 0 C3'-C2'-C1' 103.836 2.595 . 0.04 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ' U' . . . . . 0.713 " H5'" " O2'" ' A' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.431 -1.816 0 C3'-C2'-C1' 103.873 2.636 . 0.063 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ' C' . . . . . 0.462 ' P ' HO2' ' A' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.861 0 C3'-C2'-C1' 103.349 2.054 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ' U' . . . . . 0.518 ' OP2' ' CZ ' ' B' ' 9' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 C3'-C2'-C1' 102.933 1.592 . 0.122 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ' C' . . . . . 0.684 " O2'" " H5'" ' A' ' 42' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.115 0 C3'-C2'-C1' 104.075 2.861 . 0.98 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ' A' . . . . . 0.698 " O2'" " H5'" ' A' ' 43' ' ' ' U' . . . . . . . . 0 P--O5' 1.621 2.788 0 C3'-C2'-C1' 102.802 1.446 . 0.941 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ' U' . . . . . 0.698 " H5'" " O2'" ' A' ' 42' ' ' ' A' . . . . . . . . 0 P--O5' 1.624 3.08 0 P-O3'-C3' 123.45 3.125 . 0.924 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ' G' . . . . . 0.618 ' C8 ' " O2'" ' A' ' 43' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.429 -2.031 0 P-O3'-C3' 122.063 1.969 . 0.754 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ' G' . . . . . 0.572 ' N7 ' ' OP2' ' A' ' 44' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.386 0 P-O3'-C3' 122.077 1.981 . 0.01 6j . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ' C' . . . . . 0.826 HO2' ' H8 ' ' A' ' 47' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.43 -1.907 0 C3'-C2'-C1' 103.482 2.202 . 0.15 3b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ' A' . . . . . 0.826 ' H8 ' HO2' ' A' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.737 0 C3'-C2'-C1' 103.258 1.953 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.211 0 O5'-C5'-C4' 112.836 1.883 . 0.967 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ' C' . . . . . 0.417 " O2'" " H5'" ' A' ' 50' ' ' ' A' . . . . . . . . 0 P--O5' 1.626 3.278 0 C5'-C4'-C3' 118.899 2.266 . 0.959 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ' A' . . . . . 0.417 " H5'" " O2'" ' A' ' 49' ' ' ' C' . . . . . . . . 0 P--O5' 1.626 3.345 0 C5'-C4'-C3' 118.513 2.009 . 0.953 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ' C' . . . . . 0.484 " O2'" " H5'" ' A' ' 52' ' ' ' C' . . . . . . . . 0 P--O5' 1.628 3.473 0 C5'-C4'-C3' 118.837 2.225 . 0.952 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ' C' . . . . . 0.484 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 P--O5' 1.626 3.265 0 C3'-C2'-C1' 103.47 2.188 . 0.949 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ARG . . . . . 0.785 ' HE ' ' H41' ' A' ' 30' ' ' ' C' . 0.0 OUTLIER . . . . . 0 C--O 1.243 0.716 0 CA-C-O 121.432 0.634 . . . . 0.0 111.712 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.5 p -128.66 101.55 6.95 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.978 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ARG . . . . . 0.68 HH11 ' H ' ' B' ' 4' ' ' THR . 0.0 OUTLIER -91.71 156.72 17.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.322 -179.224 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.68 ' H ' HH11 ' B' ' 3' ' ' ARG . 17.0 p -126.45 87.34 2.65 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.671 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.505 ' O ' ' N ' ' B' ' 8' ' ' ARG . 3.8 mmm180 -91.4 131.67 36.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.496 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' B' ' 5' ' ' ARG . . . 34.92 73.25 0.1 OUTLIER Glycine 0 N--CA 1.473 1.152 0 N-CA-C 109.931 -1.268 . . . . 0.0 109.931 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.448 ' CG ' ' O ' ' B' ' 6' ' ' GLY . 16.6 pttt 40.65 37.43 0.48 Allowed 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 117.418 0.609 . . . . 0.0 110.648 -179.42 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' B' ' 5' ' ' ARG . 8.0 ttt180 -133.03 118.2 18.51 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.559 HH12 ' HE ' ' B' ' 11' ' ' ARG . 10.0 ttt-85 -78.73 141.63 37.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.952 -178.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' B' ' 3' ' ' ARG . 1.7 mt -125.82 108.29 19.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.327 179.072 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.559 ' HE ' HH12 ' B' ' 9' ' ' ARG . 13.1 ttm180 -93.48 105.32 17.39 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.647 0.592 . . . . 0.0 110.491 -179.206 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ARG . . . . . 0.446 ' NH2' ' OP2' ' A' ' 28' ' ' ' G' . 69.1 mtt-85 -131.47 100.41 5.14 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.384 0.611 . . . . 0.0 110.314 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo . . . . . 0 N--CA 1.491 1.379 0 C-N-CA 122.276 1.984 . . . . 0.0 113.235 -179.656 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ' G' . . . . . 0.768 " O2'" ' H8 ' ' A' ' 23' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.53 1.534 0 C3'-C2'-C1' 103.633 2.37 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ' G' . . . . . 0.768 ' H8 ' " O2'" ' A' ' 22' ' ' ' G' . . . . . . . . 0 P--O5' 1.617 2.364 0 C1'-O4'-C4' 108.006 -1.771 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.682 0 O5'-C5'-C4' 112.835 1.882 . 0.968 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.512 0 O5'-C5'-C4' 112.665 1.761 . 0.963 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.654 0 O5'-C5'-C4' 112.556 1.683 . 0.962 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ' U' . . . . . 0.604 ' C5 ' ' NH1' ' B' ' 12' ' ' ARG . . . . . . . . 0 P--O5' 1.629 3.601 0 C3'-C2'-C1' 102.788 1.431 . 0.971 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ' G' . . . . . 0.798 HO2' ' H8 ' ' A' ' 29' ' ' ' A' . . . . . . . . 0 P--O5' 1.624 3.147 0 C4'-C3'-C2' 105.725 3.025 OUTLIER-DELTA 0.115 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ' A' . . . . . 0.798 ' H8 ' HO2' ' A' ' 28' ' ' ' G' . . . . . . . . 0 P--O5' 1.617 2.395 0 C3'-C2'-C1' 103.835 2.594 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . 0.779 ' O2 ' ' H5 ' ' A' ' 31' ' ' ' U' . . . . . . . . 0 P--O5' 1.617 2.416 0 P-O3'-C3' 121.563 1.552 . 0.017 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ' U' . . . . . 0.831 " O2'" " H5'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 P--O5' 1.632 3.937 0 C3'-C2'-C1' 104.529 3.366 OUTLIER-DELTA 0.027 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ' G' . . . . . 0.897 HO2' ' H6 ' ' A' ' 33' ' ' ' U' . . . . . . . . 0 P--O5' 1.616 2.258 0 C3'-C2'-C1' 103.843 2.603 . 0.124 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ' U' . . . . . 0.897 ' H6 ' HO2' ' A' ' 32' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.133 0 C3'-C2'-C1' 103.246 1.94 . 0.056 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.343 0 C3'-C2'-C1' 103.405 2.117 . 0.68 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.252 0 C3'-C2'-C1' 103.738 2.486 . 0.66 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.012 0 C3'-C2'-C1' 103.687 2.431 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.77 0 C3'-C2'-C1' 103.746 2.495 . 0.448 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ' U' . . . . . 0.624 " O2'" " H5'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.765 0 C3'-C2'-C1' 102.993 1.659 . 0.767 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ' C' . . . . . 0.885 " O2'" ' H6 ' ' A' ' 40' ' ' ' U' . . . . . . . . 0 P--O5' 1.62 2.652 0 C3'-C2'-C1' 103.471 2.19 . 0.891 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ' U' . . . . . 0.885 ' H6 ' " O2'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.939 0 C3'-C2'-C1' 103.27 1.966 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ' C' . . . . . 0.875 " O2'" ' H8 ' ' A' ' 42' ' ' ' A' . . . . . . . . 0 P--O5' 1.619 2.569 0 C3'-C2'-C1' 103.29 1.989 . 0.876 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ' A' . . . . . 0.875 ' H8 ' " O2'" ' A' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.443 2.405 0 C1'-O4'-C4' 108.092 -1.675 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ' U' . . . . . 0.643 ' C6 ' ' N3 ' ' A' ' 42' ' ' ' A' . . . . . . . . 0 P--O5' 1.624 3.12 0 C3'-C2'-C1' 104.262 3.069 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ' G' . . . . . 0.595 " O2'" ' N7 ' ' A' ' 45' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.236 0 C3'-C2'-C1' 103.637 2.375 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ' G' . . . . . 0.736 " O2'" ' H6 ' ' A' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.428 -2.055 0 C3'-C2'-C1' 103.55 2.277 . 0.616 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ' C' . . . . . 0.736 ' H6 ' " O2'" ' A' ' 45' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.443 2.418 0 P-O3'-C3' 122.377 2.231 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ' A' . . . . . 0.422 " H5'" " O2'" ' A' ' 46' ' ' ' C' . . . . . . . . 0 P--O5' 1.627 3.441 0 P-O3'-C3' 121.977 1.898 . 0.959 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.57 0 O5'-C5'-C4' 112.508 1.648 . 0.961 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.451 0 C5'-C4'-C3' 118.622 2.081 . 0.961 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.606 0 C5'-C4'-C3' 118.275 1.85 . 0.958 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ' C' . . . . . 0.47 " O2'" " H5'" ' A' ' 52' ' ' ' C' . . . . . . . . 0 P--O5' 1.632 3.896 0 C5'-C4'-C3' 118.576 2.05 . 0.954 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ' C' . . . . . 0.47 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 P--O5' 1.626 3.327 0 C3'-C2'-C1' 103.423 2.137 . 0.952 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ARG . . . . . 0.541 ' NH1' ' C6 ' ' A' ' 30' ' ' ' C' . 4.9 ptm180 . . . . . 0 C--O 1.24 0.566 0 CA-C-O 121.245 0.545 . . . . 0.0 111.549 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.855 HG13 ' NH2' ' B' ' 9' ' ' ARG . 19.3 t -107.38 96.22 4.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.929 178.294 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ARG . . . . . 0.59 ' O ' ' N ' ' B' ' 10' ' ' ILE . 0.0 OUTLIER -85.41 135.34 33.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.059 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.59 HG23 ' O ' ' B' ' 4' ' ' THR . 4.9 t -130.61 119.2 22.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.628 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.705 ' O ' ' N ' ' B' ' 7' ' ' LYS . 51.0 mtp180 -92.99 129.35 38.94 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.241 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' GLY . . . . . 0.558 ' N ' ' OP2' ' A' ' 45' ' ' ' G' . . . 30.95 -80.86 0.0 OUTLIER Glycine 0 N--CA 1.48 1.606 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.705 ' N ' ' O ' ' B' ' 5' ' ' ARG . 1.3 mtpm? -134.8 48.11 2.32 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-N 117.568 0.684 . . . . 0.0 110.07 178.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.552 ' N ' ' O ' ' B' ' 5' ' ' ARG . 47.6 mtp85 -142.6 129.89 21.05 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.965 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.855 ' NH2' HG13 ' B' ' 2' ' ' VAL . 0.5 OUTLIER -83.06 129.88 35.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.957 -179.696 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.59 ' N ' ' O ' ' B' ' 3' ' ' ARG . 0.4 OUTLIER -132.2 105.03 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.803 179.108 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.529 ' CZ ' ' OP2' ' A' ' 39' ' ' ' C' . 0.8 OUTLIER -95.65 120.52 36.05 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.564 -179.37 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ARG . . . . . 0.683 ' NH2' ' N7 ' ' A' ' 28' ' ' ' G' . 46.3 mtt180 -135.47 126.27 27.41 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.686 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' DPR . . . . . 0.408 ' C ' ' O ' ' B' ' 12' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo . . . . . 0 N--CA 1.49 1.316 0 C-N-CA 122.46 2.106 . . . . 0.0 112.789 -179.757 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ' G' . . . . . 0.769 " O2'" ' H8 ' ' A' ' 23' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.528 1.382 0 C3'-C2'-C1' 103.506 2.229 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ' G' . . . . . 0.769 ' H8 ' " O2'" ' A' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.088 0 C5'-C4'-C3' 118.398 1.932 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ' U' . . . . . 0.42 " H5'" " O2'" ' A' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.135 0 C5'-C4'-C3' 118.787 2.191 . 0.963 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ' G' . . . . . 0.443 " O2'" " H5'" ' A' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.067 0 C5'-C4'-C3' 119.129 2.419 . 0.954 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ' U' . . . . . 0.525 ' O4 ' ' NH2' ' B' ' 5' ' ' ARG . . . . . . . . 0 O4'--C4' 1.412 -3.388 0 C5'-C4'-C3' 119.078 2.385 . 0.953 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ' U' . . . . . 0.407 " O2'" " H5'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.409 -3.683 0 C5'-C4'-C3' 118.389 1.926 . 0.961 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ' G' . . . . . 0.607 ' N1 ' ' N6 ' ' A' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.406 -3.925 0 C5'-C4'-C3' 118.916 2.277 . 0.968 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ' A' . . . . . 0.898 HO2' ' H6 ' ' A' ' 30' ' ' ' C' . . . . . . . . 0 P--O5' 1.617 2.363 0 C3'-C2'-C1' 103.48 2.2 . 0.552 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ' C' . . . . . 0.898 ' H6 ' HO2' ' A' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.292 0 C3'-C2'-C1' 102.823 1.47 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ' U' . . . . . 0.538 ' C2 ' ' O6 ' ' A' ' 44' ' ' ' G' . . . . . . . . 0 P--O5' 1.618 2.46 0 C4'-C3'-C2' 105.222 2.522 . 0.273 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ' G' . . . . . 0.527 ' N3 ' ' O4 ' ' A' ' 34' ' ' ' U' . . . . . . . . 0 P--O5' 1.611 1.765 0 C3'-C2'-C1' 103.501 2.224 . 0.133 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ' U' . . . . . 0.401 " O5'" " O2'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -1.961 0 C3'-C2'-C1' 103.416 2.129 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ' U' . . . . . 0.527 ' O4 ' ' N3 ' ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.642 0 C3'-C2'-C1' 103.366 2.073 . 0.658 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ' G' . . . . . 0.7 " O2'" " H5'" ' A' ' 36' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.479 0 C3'-C2'-C1' 103.451 2.167 . 0.737 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ' A' . . . . . 0.7 " H5'" " O2'" ' A' ' 35' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.884 0 C3'-C2'-C1' 103.405 2.117 . 0.873 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ' A' . . . . . 0.664 " O5'" " O2'" ' A' ' 36' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.496 0 C3'-C2'-C1' 103.776 2.528 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ' U' . . . . . 0.642 " H5'" " O2'" ' A' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.216 0 C3'-C2'-C1' 103.067 1.741 . 0.058 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ' C' . . . . . 0.669 " O2'" " O4'" ' A' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.433 -1.705 0 C3'-C2'-C1' 103.473 2.192 . 0.858 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ' U' . . . . . 0.792 " O2'" " H5'" ' A' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.412 -3.452 0 C3'-C2'-C1' 103.442 2.158 . 0.017 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ' C' . . . . . 0.853 " O2'" ' H8 ' ' A' ' 42' ' ' ' A' . . . . . . . . 0 P--O5' 1.616 2.259 0 C3'-C2'-C1' 103.644 2.382 . 0.924 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ' A' . . . . . 0.853 ' H8 ' " O2'" ' A' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.25 0 C1'-O4'-C4' 108.062 -1.708 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ' U' . . . . . 0.683 ' C6 ' ' N3 ' ' A' ' 42' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.133 0 C3'-C2'-C1' 103.779 2.532 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ' G' . . . . . 0.732 " O2'" ' H8 ' ' A' ' 45' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -1.975 0 C3'-C2'-C1' 103.297 1.997 . 0.277 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ' G' . . . . . 0.75 " O2'" " H5'" ' A' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.1 0 C5'-C4'-C3' 118.361 1.908 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ' C' . . . . . 0.75 " H5'" " O2'" ' A' ' 45' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.444 2.495 0 C5'-C4'-C3' 118.264 1.843 . 0.931 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ' A' . . . . . 0.462 " H5'" " O2'" ' A' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.025 0 C5'-C4'-C3' 118.248 1.832 . 0.951 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.393 0 C5'-C4'-C3' 118.616 2.077 . 0.955 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ' C' . . . . . 0.457 " O2'" " H5'" ' A' ' 50' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.412 -3.404 0 C5'-C4'-C3' 119.421 2.614 . 0.957 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ' A' . . . . . 0.457 " H5'" " O2'" ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.414 -3.24 0 C5'-C4'-C3' 119.428 2.619 . 0.947 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ' C' . . . . . 0.484 " O2'" " H5'" ' A' ' 52' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.326 0 C5'-C4'-C3' 119.325 2.55 . 0.943 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ' C' . . . . . 0.484 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.311 0 C3'-C2'-C1' 103.457 2.175 . 0.944 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ARG . . . . . 0.581 ' CD ' HH12 ' B' ' 12' ' ' ARG . 3.1 ptp85 . . . . . 0 C--O 1.238 0.464 0 CA-C-O 120.93 0.395 . . . . 0.0 110.573 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.432 HG11 ' N4 ' ' A' ' 41' ' ' ' C' . 1.5 p -118.76 107.65 22.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.351 178.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ARG . . . . . 0.684 ' CG ' HH11 ' B' ' 12' ' ' ARG . 1.8 mmm180 -83.06 152.06 25.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.944 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.651 HG23 ' O ' ' B' ' 4' ' ' THR . 14.8 t -132.22 114.72 14.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.781 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.71 ' HB2' HD11 ' B' ' 10' ' ' ILE . 3.2 ttp180 -92.33 117.79 30.26 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.564 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 45.4 -79.82 0.0 OUTLIER Glycine 0 N--CA 1.472 1.076 0 N-CA-C 110.222 -1.151 . . . . 0.0 110.222 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.671 ' N ' ' O ' ' B' ' 5' ' ' ARG . 17.9 pttt -140.3 45.01 1.86 Allowed 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.947 0.403 . . . . 0.0 110.173 179.054 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -140.87 132.65 27.4 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.301 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 10.1 tpp85 -79.24 140.23 37.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.99 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.71 HD11 ' HB2' ' B' ' 5' ' ' ARG . 5.1 mt -132.17 120.55 43.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.491 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -95.32 113.62 25.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.697 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ARG . . . . . 0.684 HH11 ' CG ' ' B' ' 3' ' ' ARG . 22.2 mtm105 -131.88 109.84 10.38 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.558 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' DPR . . . . . 0.402 ' C ' ' O ' ' B' ' 12' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo . . . . . 0 C--N 1.313 -1.318 0 C-N-CA 122.306 2.004 . . . . 0.0 112.892 179.948 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 . . . . . 0 N--CA 1.467 0.4 0 CA-C-O 121.031 0.443 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.4 p -114.44 102.78 14.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.128 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . 0.477 ' O ' ' N ' ' B' ' 10' ' ' ILE . 32.9 mtp180 -85.98 154.76 21.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . 0.476 ' HA ' ' O ' ' B' ' 8' ' ' ARG . 0.1 OUTLIER -126.11 120.6 30.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.519 179.88 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.52 ' O ' ' N ' ' B' ' 8' ' ' ARG . 37.1 mtm105 -115.64 136.64 52.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.975 -179.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' B' ' 5' ' ' ARG . . . 35.8 49.26 1.05 Allowed Glycine 0 N--CA 1.475 1.245 0 N-CA-C 110.429 -1.068 . . . . 0.0 110.429 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm 62.22 42.24 9.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.736 0.303 . . . . 0.0 110.61 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' B' ' 5' ' ' ARG . 88.9 mtt-85 -133.32 133.51 42.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.829 179.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . 0.419 HH21 ' HD2' ' B' ' 9' ' ' ARG . 0.2 OUTLIER -75.97 122.75 24.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.042 0.448 . . . . 0.0 110.971 -178.198 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.477 ' N ' ' O ' ' B' ' 3' ' ' ARG . 4.5 mm -120.25 120.05 61.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.458 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -95.27 114.59 26.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.599 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? . . . . . 0 C--N 1.333 -0.145 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.402 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' ARG . . . . . 0.429 HH21 ' HD3' ' B' ' 1' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.242 0.684 0 CA-C-O 121.397 0.618 . . . . 0.0 111.043 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.4 t -119.47 98.84 6.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.478 177.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . 0.836 HH21 ' H ' ' B' ' 4' ' ' THR . 0.0 OUTLIER -84.25 154.93 22.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.726 -179.191 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . 0.836 ' H ' HH21 ' B' ' 3' ' ' ARG . 6.4 p -118.52 94.56 4.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.465 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.564 ' O ' ' N ' ' B' ' 8' ' ' ARG . 26.8 mmt-85 -93.87 126.89 39.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.61 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' GLY . . . . . 0.491 ' C ' ' O ' ' B' ' 5' ' ' ARG . . . 32.35 58.3 0.41 Allowed Glycine 0 N--CA 1.477 1.423 0 N-CA-C 110.241 -1.144 . . . . 0.0 110.241 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 17.9 mttm 57.27 42.9 24.48 Favored 'General case' 0 N--CA 1.462 0.137 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.547 -179.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.564 ' N ' ' O ' ' B' ' 5' ' ' ARG . 9.3 ttt180 -133.5 131.84 40.3 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . 0.405 ' HG2' HH21 ' B' ' 9' ' ' ARG . 3.1 tpp85 -77.3 112.18 13.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.769 -178.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.458 HG21 ' CZ ' ' B' ' 12' ' ' ARG . 3.1 mm -100.79 110.41 27.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.437 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 17.2 ptt85 -94.63 96.72 9.61 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.35 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . 0.458 ' CZ ' HG21 ' B' ' 10' ' ' ILE . 42.6 mtm180 . . . . . 0 C--O 1.235 0.328 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.159 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' ARG . . . . . 0.689 ' CZ ' ' H ' ' B' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.899 0.38 . . . . 0.0 110.119 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.689 ' H ' ' CZ ' ' B' ' 1' ' ' ARG . 6.8 m -115.44 92.95 2.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.226 178.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . 0.69 ' NH2' ' NH1' ' B' ' 12' ' ' ARG . 8.3 mtp180 -83.88 156.61 22.32 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 120.974 0.416 . . . . 0.0 110.451 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . 0.724 ' O ' HG23 ' B' ' 4' ' ' THR . 13.0 t -129.14 107.14 9.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.813 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.499 ' O ' ' CB ' ' B' ' 8' ' ' ARG . 5.8 ttp180 -111.62 135.23 52.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.999 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' B' ' 5' ' ' ARG . . . 34.26 74.46 0.07 OUTLIER Glycine 0 N--CA 1.473 1.159 0 N-CA-C 110.109 -1.197 . . . . 0.0 110.109 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.424 ' CG ' ' O ' ' B' ' 6' ' ' GLY . 0.2 OUTLIER 39.41 39.97 0.52 Allowed 'General case' 0 C--O 1.231 0.116 0 CA-C-N 117.463 0.631 . . . . 0.0 110.89 -179.524 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' B' ' 5' ' ' ARG . 10.0 ttt180 -133.46 126.11 30.46 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 -78.88 112.46 16.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.896 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.678 ' CG2' ' HE ' ' B' ' 12' ' ' ARG . 11.5 mm -99.8 116.97 44.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.995 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -95.64 109.89 22.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.593 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . 0.69 ' NH1' ' NH2' ' B' ' 3' ' ' ARG . 21.8 mtt180 . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.553 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' ARG . . . . . 0.405 ' HG2' HH21 ' B' ' 1' ' ' ARG . 1.8 ptp85 . . . . . 0 N--CA 1.469 0.511 0 CA-C-O 121.25 0.548 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.4 p -127.41 105.92 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.036 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . 0.556 ' O ' ' N ' ' B' ' 10' ' ' ILE . 56.0 mtt-85 -83.57 156.51 22.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.925 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . 0.582 ' O ' HG23 ' B' ' 4' ' ' THR . 5.2 t -129.44 118.61 22.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.432 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.673 ' O ' ' N ' ' B' ' 7' ' ' LYS . 10.6 mtp-105 -92.46 113.54 25.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.518 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 42.23 -80.09 0.0 OUTLIER Glycine 0 N--CA 1.485 1.941 0 N-CA-C 110.051 -1.219 . . . . 0.0 110.051 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.673 ' N ' ' O ' ' B' ' 5' ' ' ARG . 9.1 pttm -133.86 45.59 2.63 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 117.578 0.689 . . . . 0.0 110.05 179.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' B' ' 5' ' ' ARG . 35.4 ttt180 -144.3 147.24 33.26 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -94.77 137.09 34.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.059 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.556 ' N ' ' O ' ' B' ' 3' ' ' ARG . 3.8 mm -127.6 115.7 40.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.237 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -94.06 119.44 32.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.404 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . 0.502 ' CZ ' ' CG2' ' B' ' 10' ' ' ILE . 5.1 mtt-85 . . . . . 0 C--O 1.236 0.377 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.654 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' ARG . . . . . 0.481 ' HE ' ' HG3' ' B' ' 12' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.472 0.661 0 CA-C-O 121.131 0.491 . . . . 0.0 111.737 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.9 p -135.47 100.47 2.65 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.823 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . 0.409 ' O ' ' N ' ' B' ' 10' ' ' ILE . 0.1 OUTLIER -96.4 156.43 16.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.094 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 1.9 p -116.36 121.03 40.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.714 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.531 ' O ' ' N ' ' B' ' 8' ' ' ARG . 57.1 mtt180 -119.25 132.08 55.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.272 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' GLY . . . . . 0.475 ' C ' ' O ' ' B' ' 5' ' ' ARG . . . 33.83 53.81 0.66 Allowed Glycine 0 N--CA 1.48 1.633 0 N-CA-C 109.997 -1.241 . . . . 0.0 109.997 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 12.9 mptt 57.89 44.92 19.16 Favored 'General case' 0 C--O 1.23 0.06 0 CA-C-O 120.842 0.353 . . . . 0.0 110.603 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.531 ' N ' ' O ' ' B' ' 5' ' ' ARG . 6.9 ttt85 -133.83 133.19 41.29 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -77.76 112.57 14.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.147 -178.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.445 HG21 ' CZ ' ' B' ' 5' ' ' ARG . 10.8 mm -103.88 96.2 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.629 179.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -94.69 105.25 17.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.171 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . 0.481 ' HG3' ' HE ' ' B' ' 1' ' ' ARG . 2.0 mmp_? . . . . . 0 C--O 1.236 0.37 0 CA-C-O 121.423 0.63 . . . . 0.0 109.763 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' ARG . . . . . 0.41 ' HB2' HH21 ' B' ' 1' ' ' ARG . 3.3 ptp180 . . . . . 0 C--O 1.24 0.598 0 CA-C-O 121.622 0.725 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.607 HG13 ' O ' ' B' ' 2' ' ' VAL . 7.3 p -121.79 99.26 6.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.073 178.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . 0.649 ' HE ' ' NH2' ' B' ' 12' ' ' ARG . 20.7 mtp85 -84.08 156.03 22.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.937 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . 0.648 ' O ' HG23 ' B' ' 4' ' ' THR . 13.8 t -125.96 114.4 18.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.807 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.48 ' O ' ' CB ' ' B' ' 8' ' ' ARG . 2.6 mmp_? -112.7 134.94 53.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.155 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' B' ' 5' ' ' ARG . . . 33.86 77.84 0.04 OUTLIER Glycine 0 N--CA 1.48 1.578 0 N-CA-C 110.168 -1.173 . . . . 0.0 110.168 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' B' ' 6' ' ' GLY . 9.4 pttp 37.74 38.48 0.17 Allowed 'General case' 0 N--CA 1.457 -0.125 0 CA-C-N 117.642 0.721 . . . . 0.0 110.874 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' B' ' 5' ' ' ARG . 5.8 ttm-85 -134.26 135.7 43.07 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . 0.419 ' CZ ' HG21 ' B' ' 2' ' ' VAL . 4.7 tpt180 -79.51 137.38 37.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.559 ' N ' ' O ' ' B' ' 3' ' ' ARG . 4.0 mm -129.88 116.23 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.239 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.58 110.18 22.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.066 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . 0.649 ' NH2' ' HE ' ' B' ' 3' ' ' ARG . 10.2 mtt180 . . . . . 0 C--O 1.238 0.464 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.627 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' ARG . . . . . 0.542 ' NH1' HG22 ' B' ' 10' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.464 0 CA-C-O 121.257 0.551 . . . . 0.0 111.701 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.419 ' O ' HG22 ' B' ' 2' ' ' VAL . 0.2 OUTLIER -135.95 108.26 7.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.974 178.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . 0.436 ' HA ' HH21 ' B' ' 3' ' ' ARG . 5.1 mmt-85 -100.85 155.29 18.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.636 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 5.4 p -126.19 107.09 10.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.517 ' O ' ' CB ' ' B' ' 8' ' ' ARG . 15.8 mmt180 -117.49 133.49 55.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.37 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' GLY . . . . . 0.506 ' C ' ' O ' ' B' ' 5' ' ' ARG . . . 31.11 81.03 0.01 OUTLIER Glycine 0 N--CA 1.474 1.212 0 N-CA-C 110.197 -1.161 . . . . 0.0 110.197 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' B' ' 6' ' ' GLY . 0.0 OUTLIER 35.25 39.92 0.06 Allowed 'General case' 0 C--N 1.342 0.255 0 CA-C-N 117.613 0.707 . . . . 0.0 110.813 -179.596 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.517 ' CB ' ' O ' ' B' ' 5' ' ' ARG . 1.6 ttt180 -133.87 107.93 8.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.845 179.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . 0.406 ' C ' HD13 ' B' ' 10' ' ' ILE . 18.6 ttp85 -80.29 115.71 19.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.969 -179.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.542 HG22 ' NH1' ' B' ' 1' ' ' ARG . 3.6 mm -102.1 98.67 7.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.787 179.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.536 ' CG ' ' O ' ' B' ' 11' ' ' ARG . 8.6 ptt180 -94.93 117.33 29.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.518 -179.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? . . . . . 0 CA--C 1.536 0.433 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.097 179.514 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' ARG . . . . . 0.494 ' C ' ' CD ' ' B' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.243 0.716 0 CA-C-O 121.432 0.634 . . . . 0.0 111.712 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.5 p -128.66 101.55 6.95 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.978 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . 0.68 HH11 ' H ' ' B' ' 4' ' ' THR . 0.0 OUTLIER -91.71 156.72 17.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.322 -179.224 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . 0.68 ' H ' HH11 ' B' ' 3' ' ' ARG . 17.0 p -126.45 87.34 2.65 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.671 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.505 ' O ' ' N ' ' B' ' 8' ' ' ARG . 3.8 mmm180 -91.4 131.67 36.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.496 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' B' ' 5' ' ' ARG . . . 34.92 73.25 0.1 OUTLIER Glycine 0 N--CA 1.473 1.152 0 N-CA-C 109.931 -1.268 . . . . 0.0 109.931 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.448 ' CG ' ' O ' ' B' ' 6' ' ' GLY . 16.6 pttt 40.65 37.43 0.48 Allowed 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 117.418 0.609 . . . . 0.0 110.648 -179.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' B' ' 5' ' ' ARG . 8.0 ttt180 -133.03 118.2 18.51 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . 0.559 HH12 ' HE ' ' B' ' 11' ' ' ARG . 10.0 ttt-85 -78.73 141.63 37.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.952 -178.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' B' ' 3' ' ' ARG . 1.7 mt -125.82 108.29 19.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.327 179.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.559 ' HE ' HH12 ' B' ' 9' ' ' ARG . 13.1 ttm180 -93.48 105.32 17.39 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.647 0.592 . . . . 0.0 110.491 -179.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 69.1 mtt-85 . . . . . 0 C--O 1.235 0.334 0 CA-C-O 121.384 0.611 . . . . 0.0 110.314 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 . . . . . 0 C--O 1.24 0.566 0 CA-C-O 121.245 0.545 . . . . 0.0 111.549 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.855 HG13 ' NH2' ' B' ' 9' ' ' ARG . 19.3 t -107.38 96.22 4.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.929 178.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . 0.59 ' O ' ' N ' ' B' ' 10' ' ' ILE . 0.0 OUTLIER -85.41 135.34 33.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.059 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . 0.59 ' O ' HG23 ' B' ' 4' ' ' THR . 4.9 t -130.61 119.2 22.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.628 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.705 ' O ' ' N ' ' B' ' 7' ' ' LYS . 51.0 mtp180 -92.99 129.35 38.94 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.241 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' B' ' 5' ' ' ARG . . . 30.95 -80.86 0.0 OUTLIER Glycine 0 N--CA 1.48 1.606 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.705 ' N ' ' O ' ' B' ' 5' ' ' ARG . 1.3 mtpm? -134.8 48.11 2.32 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-N 117.568 0.684 . . . . 0.0 110.07 178.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.552 ' N ' ' O ' ' B' ' 5' ' ' ARG . 47.6 mtp85 -142.6 129.89 21.05 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.965 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . 0.855 ' NH2' HG13 ' B' ' 2' ' ' VAL . 0.5 OUTLIER -83.06 129.88 35.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.957 -179.696 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.59 ' N ' ' O ' ' B' ' 3' ' ' ARG . 0.4 OUTLIER -132.2 105.03 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.803 179.108 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.517 ' CG ' ' O ' ' B' ' 11' ' ' ARG . 0.8 OUTLIER -95.65 120.52 36.05 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.564 -179.37 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 46.3 mtt180 . . . . . 0 C--O 1.234 0.251 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.686 179.806 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' ARG . . . . . 0.581 ' CD ' HH12 ' B' ' 12' ' ' ARG . 3.1 ptp85 . . . . . 0 C--O 1.238 0.464 0 CA-C-O 120.93 0.395 . . . . 0.0 110.573 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.5 p -118.76 107.65 22.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.351 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . 0.684 ' CG ' HH11 ' B' ' 12' ' ' ARG . 1.8 mmm180 -83.06 152.06 25.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.944 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . 0.651 ' O ' HG23 ' B' ' 4' ' ' THR . 14.8 t -132.22 114.72 14.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.781 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.71 ' HB2' HD11 ' B' ' 10' ' ' ILE . 3.2 ttp180 -92.33 117.79 30.26 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.564 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 45.4 -79.82 0.0 OUTLIER Glycine 0 N--CA 1.472 1.076 0 N-CA-C 110.222 -1.151 . . . . 0.0 110.222 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.671 ' N ' ' O ' ' B' ' 5' ' ' ARG . 17.9 pttt -140.3 45.01 1.86 Allowed 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.947 0.403 . . . . 0.0 110.173 179.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -140.87 132.65 27.4 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.301 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 10.1 tpp85 -79.24 140.23 37.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.99 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.71 HD11 ' HB2' ' B' ' 5' ' ' ARG . 5.1 mt -132.17 120.55 43.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.491 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -95.32 113.62 25.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.697 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . 0.684 HH11 ' CG ' ' B' ' 3' ' ' ARG . 22.2 mtm105 . . . . . 0 C--O 1.237 0.444 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.558 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ' G' . . . . . 0.756 " O2'" ' H8 ' ' A' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.432 1.507 0 C3'-C2'-C1' 103.623 2.359 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ' G' . . . . . 0.756 ' H8 ' " O2'" ' A' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.681 0 C5'-C4'-C3' 118.254 1.836 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ' U' . . . . . 0.404 " H5'" " O2'" ' A' ' 23' ' ' ' G' . . . . . . . . 0 P--O5' 1.623 2.989 0 C5'-C4'-C3' 118.641 2.094 . 0.964 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . 0.409 " O2'" " H5'" ' A' ' 26' ' ' ' U' . . . . . . . . 0 P--O5' 1.624 3.144 0 C5'-C4'-C3' 118.971 2.314 . 0.961 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ' U' . . . . . 0.409 " H5'" " O2'" ' A' ' 25' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.913 0 C5'-C4'-C3' 118.67 2.113 . 0.961 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ' U' . . . . . 0.477 " O2'" " H5'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.058 0 C5'-C4'-C3' 117.969 1.646 . 0.97 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ' G' . . . . . 0.576 ' C4 ' ' NH2' ' B' ' 3' ' ' ARG . . . . . . . . 0 P--O5' 1.621 2.778 0 C3'-C2'-C1' 103.923 2.692 OUTLIER-DELTA 0.087 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ' A' . . . . . 0.799 " O2'" ' H6 ' ' A' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.85 0 C3'-C2'-C1' 103.537 2.263 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . 0.799 ' H6 ' " O2'" ' A' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.76 0 C3'-C2'-C1' 102.987 1.652 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ' U' . . . . . 0.64 ' C4 ' ' C2 ' ' A' ' 43' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.103 0 C3'-C2'-C1' 103.137 1.819 . 0.798 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ' G' . . . . . 0.636 ' C6 ' ' C2 ' ' A' ' 42' ' ' ' A' . . . . . . . . 0 P--O5' 1.623 2.973 0 C3'-C2'-C1' 102.815 1.461 . 0.955 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ' U' . . . . . 0.441 " O2'" " H5'" ' A' ' 34' ' ' ' U' . . . . . . . . 0 P--O5' 1.622 2.93 0 C5'-C4'-C3' 118.482 1.988 . 0.973 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ' U' . . . . . 0.921 " O2'" " H5'" ' A' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.938 0 C5'-C4'-C3' 119.16 2.44 . 0.952 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ' G' . . . . . 0.921 " H5'" " O2'" ' A' ' 34' ' ' ' U' . . . . . . . . 0 P--O5' 1.619 2.553 0 C3'-C2'-C1' 103.605 2.339 . 0.896 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ' A' . . . . . 0.668 ' C8 ' " O2'" ' A' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.433 -1.652 0 C3'-C2'-C1' 103.3 2.0 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ' A' . . . . . 0.576 ' OP1' " H4'" ' A' ' 36' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.429 -1.999 0 C3'-C2'-C1' 103.506 2.229 . 0.179 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ' U' . . . . . 0.59 " O2'" " O4'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.828 0 C3'-C2'-C1' 103.699 2.443 . 0.421 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ' C' . . . . . 0.59 " O4'" " O2'" ' A' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.924 0 C3'-C2'-C1' 103.054 1.726 . 0.018 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ' U' . . . . . 0.658 ' P ' HH11 ' B' ' 9' ' ' ARG . . . . . . . . 0 P--O5' 1.622 2.911 0 C3'-C2'-C1' 102.917 1.575 . 0.976 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ' C' . . . . . 0.431 " O2'" " H5'" ' A' ' 42' ' ' ' A' . . . . . . . . 0 P--O5' 1.622 2.921 0 C3'-C2'-C1' 103.722 2.469 . 0.978 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ' A' . . . . . 0.636 ' C2 ' ' C6 ' ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -2.979 0 C5'-C4'-C3' 117.894 1.596 . 0.973 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ' U' . . . . . 0.694 " O2'" " H5'" ' A' ' 44' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.081 0 C3'-C2'-C1' 103.301 2.001 . 0.948 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ' G' . . . . . 0.694 " H5'" " O2'" ' A' ' 43' ' ' ' U' . . . . . . . . 0 P--O5' 1.619 2.588 0 C3'-C2'-C1' 103.551 2.279 . 0.808 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ' G' . . . . . 0.631 " C5'" " O2'" ' A' ' 44' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.833 0 C3'-C2'-C1' 103.104 1.782 . 0.046 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ' C' . . . . . 0.667 ' OP1' " H4'" ' A' ' 46' ' ' ' C' . . . . . . . . 0 P--O5' 1.622 2.889 0 C3'-C2'-C1' 103.01 1.678 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.804 0 C3'-C2'-C1' 103.054 1.727 . 0.886 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.861 0 C5'-C4'-C3' 118.602 2.068 . 0.965 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ' C' . . . . . 0.444 " O2'" " H5'" ' A' ' 50' ' ' ' A' . . . . . . . . 0 P--O5' 1.624 3.102 0 C5'-C4'-C3' 119.4 2.6 . 0.963 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ' A' . . . . . 0.444 " H5'" " O2'" ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.048 0 C5'-C4'-C3' 119.6 2.733 . 0.953 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ' C' . . . . . 0.489 " O2'" " H5'" ' A' ' 52' ' ' ' C' . . . . . . . . 0 P--O5' 1.625 3.245 0 C5'-C4'-C3' 119.46 2.64 . 0.949 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ' C' . . . . . 0.489 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.144 0 C3'-C2'-C1' 103.511 2.234 . 0.946 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 . . . . . 0 N--CA 1.467 0.4 0 CA-C-O 121.031 0.443 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.4 p -114.44 102.78 14.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.128 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . 0.675 ' NH1' ' H62' ' A' ' 29' ' ' ' A' . 32.9 mtp180 -85.98 154.76 21.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.476 ' HA ' ' O ' ' B' ' 8' ' ' ARG . 0.1 OUTLIER -126.11 120.6 30.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.519 179.88 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.52 ' O ' ' N ' ' B' ' 8' ' ' ARG . 37.1 mtm105 -115.64 136.64 52.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.975 -179.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' B' ' 5' ' ' ARG . . . 35.8 49.26 1.05 Allowed Glycine 0 N--CA 1.475 1.245 0 N-CA-C 110.429 -1.068 . . . . 0.0 110.429 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm 62.22 42.24 9.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.736 0.303 . . . . 0.0 110.61 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' B' ' 5' ' ' ARG . 88.9 mtt-85 -133.32 133.51 42.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.829 179.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.658 HH11 ' P ' ' A' ' 40' ' ' ' U' . 0.2 OUTLIER -75.97 122.75 24.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.042 0.448 . . . . 0.0 110.971 -178.198 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.477 ' N ' ' O ' ' B' ' 3' ' ' ARG . 4.5 mm -120.25 120.05 61.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.458 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.495 ' CZ ' ' OP1' ' A' ' 39' ' ' ' C' . 11.6 ttm180 -95.27 114.59 26.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.599 -179.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . 0.554 ' NE ' ' OP2' ' A' ' 28' ' ' ' G' . 3.2 tpm_? -128.99 98.24 4.88 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.402 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo . . . . . 0 C--N 1.313 -1.309 0 C-N-CA 122.281 1.987 . . . . 0.0 112.993 -179.769 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ' G' . . . . . 0.783 " O2'" ' H8 ' ' A' ' 23' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.532 1.667 0 C3'-C2'-C1' 103.701 2.446 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ' G' . . . . . 0.783 ' H8 ' " O2'" ' A' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.321 0 C1'-O4'-C4' 107.894 -1.896 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.727 0 O5'-C5'-C4' 112.672 1.766 . 0.971 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.615 0 C5'-C4'-C3' 118.276 1.851 . 0.963 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.634 0 C5'-C4'-C3' 117.885 1.59 . 0.959 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ' U' . . . . . 0.487 ' C6 ' ' NH2' ' B' ' 12' ' ' ARG . . . . . . . . 0 P--O5' 1.629 3.571 0 P-O3'-C3' 121.578 1.565 . 0.972 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ' G' . . . . . 0.774 " O2'" ' H8 ' ' A' ' 29' ' ' ' A' . . . . . . . . 0 P--O5' 1.625 3.165 0 C3'-C2'-C1' 103.915 2.684 OUTLIER-DELTA 0.05 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ' A' . . . . . 0.774 ' H8 ' " O2'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.519 0 C1'-O4'-C4' 108.072 -1.698 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . 0.707 " H5'" " O2'" ' A' ' 29' ' ' ' A' . . . . . . . . 0 P--O5' 1.625 3.228 0 P-O3'-C3' 122.945 2.704 . 0.935 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ' U' . . . . . 0.835 " O2'" " H5'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 P--O5' 1.63 3.705 0 C3'-C2'-C1' 104.432 3.257 . 0.081 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ' G' . . . . . 0.835 " H5'" " O2'" ' A' ' 31' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 1.999 0 C3'-C2'-C1' 103.823 2.581 . 0.195 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ' U' . . . . . 0.808 " H5'" " O2'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 P--O5' 1.616 2.311 0 P-O3'-C3' 122.283 2.152 . 0.063 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ' U' . . . . . 0.699 " O2'" " H5'" ' A' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.448 0 C3'-C2'-C1' 103.48 2.2 . 0.695 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ' G' . . . . . 0.699 " H5'" " O2'" ' A' ' 34' ' ' ' U' . . . . . . . . 0 P--O5' 1.611 1.818 0 C3'-C2'-C1' 103.94 2.711 . 0.056 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ' A' . . . . . 0.597 " H5'" " O2'" ' A' ' 35' ' ' ' G' . . . . . . . . 0 P--O5' 1.618 2.526 0 P-O3'-C3' 123.678 3.315 . 0.04 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ' A' . . . . . 0.86 H5'' ' OP2' ' A' ' 38' ' ' ' U' . . . . . . . . 0 P--O5' 1.627 3.381 0 P-O3'-C3' 122.907 2.673 . 0.906 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ' U' . . . . . 0.86 ' OP2' H5'' ' A' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.962 0 C3'-C2'-C1' 103.129 1.809 . 0.234 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ' C' . . . . . 0.65 " O2'" " H5'" ' A' ' 40' ' ' ' U' . . . . . . . . 0 P--O5' 1.626 3.265 0 C3'-C2'-C1' 102.94 1.6 . 0.973 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ' U' . . . . . 0.65 " H5'" " O2'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 P--O5' 1.621 2.821 0 C4'-C3'-C2' 105.161 2.461 . 0.851 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ' C' . . . . . 0.622 ' C6 ' " O2'" ' A' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.435 -1.482 0 C3'-C2'-C1' 103.751 2.501 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ' A' . . . . . 0.661 ' N3 ' ' C5 ' ' A' ' 43' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.499 -2.359 0 C1'-O4'-C4' 108.109 -1.657 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ' U' . . . . . 0.74 " O2'" " H5'" ' A' ' 44' ' ' ' G' . . . . . . . . 0 P--O5' 1.632 3.896 0 O4'-C4'-C3' 108.503 2.145 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ' G' . . . . . 0.74 " H5'" " O2'" ' A' ' 43' ' ' ' U' . . . . . . . . 0 P--O5' 1.615 2.175 0 C3'-C2'-C1' 103.76 2.511 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ' G' . . . . . 0.636 ' N2 ' ' H61' ' A' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.431 -1.824 0 C3'-C2'-C1' 103.953 2.726 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ' C' . . . . . 0.697 ' N4 ' HH12 ' B' ' 5' ' ' ARG . . . . . . . . 0 P--O5' 1.618 2.471 0 O5'-C5'-C4' 113.088 2.063 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ' A' . . . . . 0.43 " H5'" " O2'" ' A' ' 46' ' ' ' C' . . . . . . . . 0 P--O5' 1.628 3.503 0 O5'-C5'-C4' 112.896 1.926 . 0.954 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.571 0 O5'-C5'-C4' 112.83 1.878 . 0.957 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.548 0 C5'-C4'-C3' 118.726 2.151 . 0.96 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.738 0 C5'-C4'-C3' 118.202 1.802 . 0.958 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ' C' . . . . . 0.459 " O2'" " H5'" ' A' ' 52' ' ' ' C' . . . . . . . . 1 P--O5' 1.633 4.018 0 C5'-C4'-C3' 118.594 2.062 . 0.955 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ' C' . . . . . 0.459 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 P--O5' 1.629 3.626 0 C3'-C2'-C1' 103.377 2.085 . 0.954 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ARG . . . . . 0.454 ' NH2' ' C5 ' ' A' ' 30' ' ' ' C' . 0.1 OUTLIER . . . . . 0 C--O 1.242 0.684 0 CA-C-O 121.397 0.618 . . . . 0.0 111.043 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.4 t -119.47 98.84 6.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.478 177.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . 0.836 HH21 ' H ' ' B' ' 4' ' ' THR . 0.0 OUTLIER -84.25 154.93 22.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.726 -179.191 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.836 ' H ' HH21 ' B' ' 3' ' ' ARG . 6.4 p -118.52 94.56 4.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.465 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.697 HH12 ' N4 ' ' A' ' 46' ' ' ' C' . 26.8 mmt-85 -93.87 126.89 39.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.61 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . 0.491 ' C ' ' O ' ' B' ' 5' ' ' ARG . . . 32.35 58.3 0.41 Allowed Glycine 0 N--CA 1.477 1.423 0 N-CA-C 110.241 -1.144 . . . . 0.0 110.241 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 17.9 mttm 57.27 42.9 24.48 Favored 'General case' 0 N--CA 1.462 0.137 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.547 -179.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.564 ' N ' ' O ' ' B' ' 5' ' ' ARG . 9.3 ttt180 -133.5 131.84 40.3 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.614 HH21 ' H41' ' A' ' 41' ' ' ' C' . 3.1 tpp85 -77.3 112.18 13.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.769 -178.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.458 HG21 ' CZ ' ' B' ' 12' ' ' ARG . 3.1 mm -100.79 110.41 27.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.437 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 17.2 ptt85 -94.63 96.72 9.61 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.35 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . 0.567 ' NH2' ' C8 ' ' A' ' 28' ' ' ' G' . 42.6 mtm180 -120.82 103.9 9.45 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.159 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo . . . . . 0 C--N 1.311 -1.435 0 C-N-CA 122.274 1.983 . . . . 0.0 112.724 -179.787 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ' G' . . . . . 0.837 " O2'" ' H8 ' ' A' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.433 -1.689 0 C3'-C2'-C1' 103.834 2.593 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ' G' . . . . . 0.837 ' H8 ' " O2'" ' A' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.443 0 C3'-C2'-C1' 103.062 1.735 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.37 0 O5'-C5'-C4' 112.654 1.753 . 0.972 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.423 0 O5'-C5'-C4' 112.689 1.778 . 0.965 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.543 0 C3'-C2'-C1' 103.025 1.695 . 0.962 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ' U' . . . . . 0.578 " O2'" " H5'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 P--O5' 1.626 3.318 0 P-O3'-C3' 121.943 1.869 . 0.965 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ' G' . . . . . 0.639 " O2'" " O5'" ' A' ' 29' ' ' ' A' . . . . . . . . 0 P--O5' 1.624 3.108 0 O5'-C5'-C4' 112.967 1.976 . 0.704 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ' A' . . . . . 0.75 " O2'" " H5'" ' A' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.847 0 C3'-C2'-C1' 103.368 2.076 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . 0.833 " O2'" " H5'" ' A' ' 31' ' ' ' U' . . . . . . . . 0 P--O5' 1.61 1.744 0 C3'-C2'-C1' 104.064 2.849 . 0.072 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ' U' . . . . . 0.833 " H5'" " O2'" ' A' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.075 0 C4'-C3'-C2' 105.221 2.521 . 0.033 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ' G' . . . . . 0.449 " O2'" " H5'" ' A' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.429 -1.979 0 C3'-C2'-C1' 103.617 2.352 . 0.401 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ' U' . . . . . 0.896 HO2' ' H6 ' ' A' ' 34' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.071 0 C3'-C2'-C1' 103.189 1.877 . 0.26 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ' U' . . . . . 0.896 ' H6 ' HO2' ' A' ' 33' ' ' ' U' . . . . . . . . 0 P--O5' 1.617 2.44 0 C3'-C2'-C1' 103.684 2.427 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ' G' . . . . . 0.692 ' C8 ' " O2'" ' A' ' 34' ' ' ' U' . . . . . . . . 0 P--O5' 1.617 2.4 0 P-O3'-C3' 122.321 2.184 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ' A' . . . . . 0.676 ' H8 ' " O2'" ' A' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.442 2.332 0 P-O3'-C3' 123.694 3.328 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ' A' . . . . . 0.593 ' OP1' ' C5 ' ' A' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.428 -2.051 0 P-O3'-C3' 122.579 2.399 . 0.657 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ' U' . . . . . 0.593 ' C5 ' ' OP1' ' A' ' 37' ' ' ' A' . . . . . . . . 0 P--O5' 1.614 2.115 0 C3'-C2'-C1' 102.921 1.579 . 0.833 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ' C' . . . . . 0.545 ' N4 ' ' C4 ' ' A' ' 38' ' ' ' U' . . . . . . . . 0 P--O5' 1.623 3.044 0 C3'-C2'-C1' 103.389 2.099 . 0.95 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ' U' . . . . . 0.463 " H5'" " O2'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 P--O5' 1.624 3.093 0 C3'-C2'-C1' 103.06 1.733 . 0.956 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ' C' . . . . . 0.404 " O2'" " H5'" ' A' ' 42' ' ' ' A' . . . . . . . . 0 P--O5' 1.628 3.452 0 C3'-C2'-C1' 103.684 2.427 . 0.978 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ' A' . . . . . 0.672 ' H62' HH12 ' B' ' 1' ' ' ARG . . . . . . . . 0 P--O5' 1.626 3.271 0 C3'-C2'-C1' 103.167 1.852 . 0.981 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ' U' . . . . . 0.54 ' OP2' HG21 ' B' ' 4' ' ' THR . . . . . . . . 0 P--O5' 1.627 3.356 0 C3'-C2'-C1' 103.354 2.06 . 0.975 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ' G' . . . . . 0.48 " O2'" " H5'" ' A' ' 45' ' ' ' G' . . . . . . . . 0 P--O5' 1.625 3.165 0 C3'-C2'-C1' 102.891 1.546 . 0.754 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ' G' . . . . . 0.561 " O2'" " O5'" ' A' ' 46' ' ' ' C' . . . . . . . . 0 P--O5' 1.621 2.75 0 C3'-C2'-C1' 103.948 2.719 . 0.278 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ' C' . . . . . 0.735 " O2'" ' H8 ' ' A' ' 47' ' ' ' A' . . . . . . . . 0 P--O5' 1.612 1.908 0 C4'-C3'-C2' 105.428 2.728 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ' A' . . . . . 0.735 ' H8 ' " O2'" ' A' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.539 0 C3'-C2'-C1' 103.138 1.821 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.163 0 O5'-C5'-C4' 112.848 1.892 . 0.962 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.412 0 C5'-C4'-C3' 118.491 1.994 . 0.962 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.558 0 C3'-C2'-C1' 103.268 1.964 . 0.958 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ' C' . . . . . 0.471 " O2'" " H5'" ' A' ' 52' ' ' ' C' . . . . . . . . 0 P--O5' 1.629 3.571 0 P-O3'-C3' 122.168 2.057 . 0.952 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ' C' . . . . . 0.471 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 P--O5' 1.627 3.409 0 C3'-C2'-C1' 103.455 2.172 . 0.953 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ARG . . . . . 0.689 ' CZ ' ' H ' ' B' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.899 0.38 . . . . 0.0 110.119 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.689 ' H ' ' CZ ' ' B' ' 1' ' ' ARG . 6.8 m -115.44 92.95 2.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.226 178.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . 0.69 ' NH2' ' NH1' ' B' ' 12' ' ' ARG . 8.3 mtp180 -83.88 156.61 22.32 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 120.974 0.416 . . . . 0.0 110.451 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.724 HG23 ' O ' ' B' ' 4' ' ' THR . 13.0 t -129.14 107.14 9.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.813 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.553 ' NH2' ' H41' ' A' ' 46' ' ' ' C' . 5.8 ttp180 -111.62 135.23 52.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.999 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' B' ' 5' ' ' ARG . . . 34.26 74.46 0.07 OUTLIER Glycine 0 N--CA 1.473 1.159 0 N-CA-C 110.109 -1.197 . . . . 0.0 110.109 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.424 ' CG ' ' O ' ' B' ' 6' ' ' GLY . 0.2 OUTLIER 39.41 39.97 0.52 Allowed 'General case' 0 C--O 1.231 0.116 0 CA-C-N 117.463 0.631 . . . . 0.0 110.89 -179.524 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' B' ' 5' ' ' ARG . 10.0 ttt180 -133.46 126.11 30.46 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 -78.88 112.46 16.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.896 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.678 ' CG2' ' HE ' ' B' ' 12' ' ' ARG . 11.5 mm -99.8 116.97 44.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.995 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -95.64 109.89 22.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.593 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . 0.69 ' NH1' ' NH2' ' B' ' 3' ' ' ARG . 21.8 mtt180 -124.14 88.19 2.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.553 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo . . . . . 0 C--N 1.314 -1.285 0 C-N-CA 122.317 2.011 . . . . 0.0 111.427 179.682 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ' G' . . . . . 0.752 " O2'" ' H8 ' ' A' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.433 -1.635 0 C3'-C2'-C1' 103.633 2.37 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ' G' . . . . . 0.752 ' H8 ' " O2'" ' A' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C3'-C2'-C1' 103.102 1.78 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ' U' . . . . . 0.414 " H5'" " O2'" ' A' ' 23' ' ' ' G' . . . . . . . . 0 P--O5' 1.626 3.269 0 C5'-C4'-C3' 118.277 1.851 . 0.964 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . 0.413 " O2'" " H5'" ' A' ' 26' ' ' ' U' . . . . . . . . 0 P--O5' 1.626 3.316 0 C5'-C4'-C3' 118.596 2.064 . 0.958 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ' U' . . . . . 0.413 " H5'" " O2'" ' A' ' 25' ' ' ' G' . . . . . . . . 0 P--O5' 1.626 3.251 0 C5'-C4'-C3' 118.319 1.88 . 0.958 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ' U' . . . . . 0.458 ' C5 ' ' NH1' ' B' ' 12' ' ' ARG . . . . . . . . 0 P--O5' 1.624 3.11 0 C3'-C2'-C1' 103.044 1.715 . 0.964 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ' G' . . . . . 0.588 ' N7 ' ' CZ ' ' B' ' 12' ' ' ARG . . . . . . . . 0 O4'--C4' 1.413 -3.368 0 O5'-C5'-C4' 112.661 1.758 . 0.974 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ' A' . . . . . 0.68 " O2'" ' H6 ' ' A' ' 30' ' ' ' C' . . . . . . . . 0 P--O5' 1.621 2.767 0 C3'-C2'-C1' 103.746 2.496 . 0.457 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . 0.68 ' H6 ' " O2'" ' A' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.737 0 C1'-O4'-C4' 108.185 -1.573 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ' U' . . . . . 0.548 ' N3 ' " O4'" ' A' ' 43' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.837 0 C3'-C2'-C1' 104.64 3.489 . 0.247 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ' G' . . . . . 0.59 " O2'" " H5'" ' A' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.674 0 C3'-C2'-C1' 103.108 1.786 . 0.231 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ' U' . . . . . 0.59 " H5'" " O2'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 P--O5' 1.617 2.402 0 C3'-C2'-C1' 104.095 2.883 . 0.749 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ' U' . . . . . 0.575 " O2'" " H5'" ' A' ' 35' ' ' ' G' . . . . . . . . 0 P--O5' 1.624 3.114 0 C3'-C2'-C1' 103.524 2.249 . 0.034 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ' G' . . . . . 0.593 ' N2 ' ' N6 ' ' A' ' 36' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.43 -1.954 0 C3'-C2'-C1' 103.166 1.851 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ' A' . . . . . 0.593 ' N6 ' ' N2 ' ' A' ' 35' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.933 0 C3'-C2'-C1' 103.537 2.263 . 0.123 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.892 0 C3'-C2'-C1' 103.487 2.208 . 0.196 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ' U' . . . . . 0.668 " O2'" " C5'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 P--O5' 1.612 1.93 0 C3'-C2'-C1' 103.482 2.202 . 0.478 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ' C' . . . . . 0.811 " O2'" ' H6 ' ' A' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.435 1.718 0 C4'-C3'-C2' 104.966 2.266 . 0.024 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ' U' . . . . . 0.878 " O2'" ' H6 ' ' A' ' 41' ' ' ' C' . . . . . . . . 0 P--O5' 1.616 2.266 0 C3'-C2'-C1' 103.579 2.31 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ' C' . . . . . 0.878 ' H6 ' " O2'" ' A' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.141 0 C3'-C2'-C1' 103.971 2.745 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ' A' . . . . . 0.771 ' N6 ' HG13 ' B' ' 2' ' ' VAL . . . . . . . . 0 P--O5' 1.617 2.381 0 C5'-C4'-C3' 117.676 1.45 . 0.971 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ' U' . . . . . 0.548 " O4'" ' N3 ' ' A' ' 31' ' ' ' U' . . . . . . . . 0 P--O5' 1.628 3.468 0 C1'-O4'-C4' 107.116 -2.759 . 0.95 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ' G' . . . . . 0.493 " O2'" " O5'" ' A' ' 45' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.216 0 C3'-C2'-C1' 103.418 2.131 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ' G' . . . . . 0.648 " O2'" " H5'" ' A' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.154 0 C3'-C2'-C1' 103.895 2.661 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ' C' . . . . . 0.648 " H5'" " O2'" ' A' ' 45' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.181 0 P-O3'-C3' 121.464 1.47 . 0.083 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ' A' . . . . . 0.443 " H5'" " O2'" ' A' ' 46' ' ' ' C' . . . . . . . . 0 P--O5' 1.622 2.886 0 P-O3'-C3' 121.753 1.711 . 0.96 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.156 0 C5'-C4'-C3' 117.998 1.665 . 0.964 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ' C' . . . . . 0.438 " O2'" " H5'" ' A' ' 50' ' ' ' A' . . . . . . . . 0 P--O5' 1.624 3.117 0 C5'-C4'-C3' 118.969 2.313 . 0.963 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ' A' . . . . . 0.438 " H5'" " O2'" ' A' ' 49' ' ' ' C' . . . . . . . . 0 P--O5' 1.626 3.255 0 C5'-C4'-C3' 118.906 2.271 . 0.952 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ' C' . . . . . 0.474 " O2'" " H5'" ' A' ' 52' ' ' ' C' . . . . . . . . 0 P--O5' 1.627 3.43 0 C5'-C4'-C3' 118.908 2.272 . 0.949 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ' C' . . . . . 0.474 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 P--O5' 1.624 3.148 0 C3'-C2'-C1' 103.46 2.178 . 0.951 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ARG . . . . . 0.51 ' NH2' ' P ' ' A' ' 29' ' ' ' A' . 1.8 ptp85 . . . . . 0 N--CA 1.469 0.511 0 CA-C-O 121.25 0.548 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.771 HG13 ' N6 ' ' A' ' 42' ' ' ' A' . 1.4 p -127.41 105.92 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.036 179.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . 0.668 ' NE ' ' C5 ' ' A' ' 29' ' ' ' A' . 56.0 mtt-85 -83.57 156.51 22.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.925 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.582 HG23 ' O ' ' B' ' 4' ' ' THR . 5.2 t -129.44 118.61 22.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.432 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.673 ' O ' ' N ' ' B' ' 7' ' ' LYS . 10.6 mtp-105 -92.46 113.54 25.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.518 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 42.23 -80.09 0.0 OUTLIER Glycine 0 N--CA 1.485 1.941 0 N-CA-C 110.051 -1.219 . . . . 0.0 110.051 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.673 ' N ' ' O ' ' B' ' 5' ' ' ARG . 9.1 pttm -133.86 45.59 2.63 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 117.578 0.689 . . . . 0.0 110.05 179.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' B' ' 5' ' ' ARG . 35.4 ttt180 -144.3 147.24 33.26 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -94.77 137.09 34.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.059 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.556 ' N ' ' O ' ' B' ' 3' ' ' ARG . 3.8 mm -127.6 115.7 40.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.237 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -94.06 119.44 32.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.404 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . 0.588 ' CZ ' ' N7 ' ' A' ' 28' ' ' ' G' . 5.1 mtt-85 -130.53 85.18 2.26 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.654 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo . . . . . 0 C--N 1.309 -1.525 0 C-N-CA 122.298 1.998 . . . . 0.0 114.087 -178.75 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ' G' . . . . . 0.775 " O2'" ' H8 ' ' A' ' 23' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.531 1.608 0 C3'-C2'-C1' 103.695 2.439 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ' G' . . . . . 0.775 ' H8 ' " O2'" ' A' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.515 0 C3'-C2'-C1' 102.997 1.663 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.406 0 O5'-C5'-C4' 112.679 1.771 . 0.97 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.311 0 C5'-C4'-C3' 118.282 1.855 . 0.963 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.441 0 C5'-C4'-C3' 117.936 1.624 . 0.963 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ' U' . . . . . 0.455 " O2'" " H5'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 P--O5' 1.626 3.288 0 P-O3'-C3' 121.425 1.437 . 0.974 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ' G' . . . . . 0.759 HO2' ' H8 ' ' A' ' 29' ' ' ' A' . . . . . . . . 0 P--O5' 1.622 2.941 0 C4'-C3'-C2' 105.056 2.356 . 0.345 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ' A' . . . . . 0.759 ' H8 ' HO2' ' A' ' 28' ' ' ' G' . . . . . . . . 0 P--O5' 1.616 2.34 0 C3'-C2'-C1' 103.563 2.292 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . 0.608 " C5'" " O2'" ' A' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.015 0 O4'-C1'-N19 106.055 -2.145 . 0.051 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ' U' . . . . . 0.522 ' C5 ' ' O2 ' ' A' ' 30' ' ' ' C' . . . . . . . . 0 P--O5' 1.616 2.338 0 C3'-C2'-C1' 103.399 2.11 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ' G' . . . . . 0.488 ' N7 ' ' OP2' ' A' ' 31' ' ' ' U' . . . . . . . . 0 P--O5' 1.62 2.719 0 C4'-C3'-C2' 104.572 1.872 . 0.166 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.141 0 C3'-C2'-C1' 103.441 2.157 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ' U' . . . . . 0.731 " O2'" " H5'" ' A' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.9 0 C3'-C2'-C1' 104.027 2.807 . 0.775 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ' G' . . . . . 0.731 " H5'" " O2'" ' A' ' 34' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.918 0 C3'-C2'-C1' 103.554 2.283 . 0.927 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ' A' . . . . . 0.715 ' C8 ' " O2'" ' A' ' 35' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.087 0 P-O3'-C3' 123.149 2.874 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ' A' . . . . . 0.59 ' C8 ' " O2'" ' A' ' 36' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.434 1.688 0 P-O3'-C3' 123.389 3.074 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ' U' . . . . . 0.624 " O2'" " C5'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.869 0 C3'-C2'-C1' 104.034 2.816 . 0.496 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ' C' . . . . . 0.652 " O2'" " H5'" ' A' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.09 0 C3'-C2'-C1' 103.186 1.874 . 0.044 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ' U' . . . . . 0.862 " O2'" ' H6 ' ' A' ' 41' ' ' ' C' . . . . . . . . 0 P--O5' 1.619 2.596 0 C3'-C2'-C1' 103.778 2.531 . 0.469 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ' C' . . . . . 0.862 ' H6 ' " O2'" ' A' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.07 0 C3'-C2'-C1' 103.83 2.589 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ' A' . . . . . 0.648 ' C6 ' ' C5 ' ' A' ' 43' ' ' ' U' . . . . . . . . 0 P--O5' 1.626 3.268 0 C3'-C2'-C1' 103.164 1.848 . 0.985 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ' U' . . . . . 0.648 ' C5 ' ' C6 ' ' A' ' 42' ' ' ' A' . . . . . . . . 0 P--O5' 1.616 2.283 0 C3'-C2'-C1' 102.97 1.634 . 0.654 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ' G' . . . . . 0.757 HO2' ' H8 ' ' A' ' 45' ' ' ' G' . . . . . . . . 0 P--O5' 1.616 2.318 0 C3'-C2'-C1' 103.461 2.179 . 0.141 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ' G' . . . . . 0.757 ' H8 ' HO2' ' A' ' 44' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.429 0 P-O3'-C3' 121.64 1.617 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ' C' . . . . . 0.628 " H5'" " O2'" ' A' ' 45' ' ' ' G' . . . . . . . . 0 P--O5' 1.628 3.522 0 P-O3'-C3' 122.491 2.326 . 0.931 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ' A' . . . . . 0.445 " H5'" " O2'" ' A' ' 46' ' ' ' C' . . . . . . . . 0 P--O5' 1.625 3.234 0 P-O3'-C3' 121.978 1.898 . 0.948 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.354 0 O5'-C5'-C4' 112.658 1.756 . 0.958 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.377 0 C5'-C4'-C3' 118.642 2.095 . 0.963 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.584 0 C5'-C4'-C3' 118.218 1.812 . 0.958 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ' C' . . . . . 0.467 " O2'" " H5'" ' A' ' 52' ' ' ' C' . . . . . . . . 0 P--O5' 1.629 3.631 0 C5'-C4'-C3' 118.68 2.12 . 0.952 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ' C' . . . . . 0.467 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 P--O5' 1.627 3.42 0 C3'-C2'-C1' 103.524 2.248 . 0.955 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ARG . . . . . 0.513 ' CB ' ' N3 ' ' A' ' 30' ' ' ' C' . 0.1 OUTLIER . . . . . 0 N--CA 1.472 0.661 0 CA-C-O 121.131 0.491 . . . . 0.0 111.737 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.9 p -135.47 100.47 2.65 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.823 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . 0.418 ' CD ' ' N1 ' ' A' ' 29' ' ' ' A' . 0.1 OUTLIER -96.4 156.43 16.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.094 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 1.9 p -116.36 121.03 40.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.714 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.607 ' NH1' ' N7 ' ' A' ' 28' ' ' ' G' . 57.1 mtt180 -119.25 132.08 55.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.272 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . 0.475 ' C ' ' O ' ' B' ' 5' ' ' ARG . . . 33.83 53.81 0.66 Allowed Glycine 0 N--CA 1.48 1.633 0 N-CA-C 109.997 -1.241 . . . . 0.0 109.997 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 12.9 mptt 57.89 44.92 19.16 Favored 'General case' 0 C--O 1.23 0.06 0 CA-C-O 120.842 0.353 . . . . 0.0 110.603 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.531 ' N ' ' O ' ' B' ' 5' ' ' ARG . 6.9 ttt85 -133.83 133.19 41.29 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -77.76 112.57 14.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.147 -178.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.445 HG21 ' CZ ' ' B' ' 5' ' ' ARG . 10.8 mm -103.88 96.2 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.629 179.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -94.69 105.25 17.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.171 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . 0.568 ' NE ' ' OP2' ' A' ' 28' ' ' ' G' . 2.0 mmp_? -117.98 95.41 4.9 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.423 0.63 . . . . 0.0 109.763 -179.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo . . . . . 0 N--CA 1.493 1.475 0 C-N-CA 122.322 2.015 . . . . 0.0 113.437 -179.527 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ' G' . . . . . 0.796 " O2'" ' H8 ' ' A' ' 23' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.53 1.563 0 C3'-C2'-C1' 103.656 2.396 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ' G' . . . . . 0.796 ' H8 ' " O2'" ' A' ' 22' ' ' ' G' . . . . . . . . 0 P--O5' 1.62 2.688 0 C3'-C2'-C1' 103.177 1.864 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.053 0 O5'-C5'-C4' 112.582 1.702 . 0.97 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.633 4.038 0 C5'-C4'-C3' 118.127 1.751 . 0.96 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.633 4.029 0 C3'-C2'-C1' 103.013 1.681 . 0.962 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ' U' . . . . . 0.47 " O2'" " H5'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 P--O5' 1.632 3.931 0 P-O3'-C3' 121.496 1.497 . 0.972 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ' G' . . . . . 0.643 ' N7 ' ' NH2' ' B' ' 12' ' ' ARG . . . . . . . . 0 P--O5' 1.627 3.369 0 C3'-C2'-C1' 104.156 2.951 OUTLIER-DELTA 0.108 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ' A' . . . . . 0.845 HO2' ' H6 ' ' A' ' 30' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.16 0 C3'-C2'-C1' 103.88 2.645 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . 0.845 ' H6 ' HO2' ' A' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.805 0 C3'-C2'-C1' 103.295 1.995 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ' U' . . . . . 0.749 " O2'" " H5'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 P--O5' 1.627 3.413 0 C3'-C2'-C1' 104.309 3.122 OUTLIER-DELTA 0.17 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ' G' . . . . . 0.896 " O2'" " H2'" ' A' ' 33' ' ' ' U' . . . . . . . . 0 P--O5' 1.616 2.257 0 C3'-C2'-C1' 103.826 2.584 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ' U' . . . . . 0.896 " H2'" " O2'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.345 0 O4'-C4'-C3' 108.251 1.965 . 0.311 2z . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ' U' . . . . . 0.514 ' C6 ' " O4'" ' A' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.368 0 C3'-C2'-C1' 103.561 2.29 . 0.789 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ' G' . . . . . 0.839 ' OP2' ' H8 ' ' A' ' 35' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.893 0 C3'-C2'-C1' 103.388 2.098 . 0.034 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ' A' . . . . . 0.657 " H5'" " O2'" ' A' ' 35' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.103 0 C3'-C2'-C1' 103.7 2.444 . 0.045 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ' A' . . . . . 0.62 ' H8 ' " O5'" ' A' ' 37' ' ' ' A' . . . . . . . . 0 P--O5' 1.612 1.943 0 C3'-C2'-C1' 104.041 2.824 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ' U' . . . . . 0.4 " O2'" " O5'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.836 0 C3'-C2'-C1' 103.515 2.239 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ' C' . . . . . 0.475 ' OP2' ' NH1' ' B' ' 11' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.717 0 C3'-C2'-C1' 103.153 1.836 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.939 0 C3'-C2'-C1' 103.009 1.676 . 0.904 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ' C' . . . . . 0.507 ' OP2' ' NH2' ' B' ' 9' ' ' ARG . . . . . . . . 0 P--O5' 1.629 3.647 0 C3'-C2'-C1' 103.664 2.404 . 0.982 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ' A' . . . . . 0.549 ' H62' HG13 ' B' ' 2' ' ' VAL . . . . . . . . 0 P--O5' 1.628 3.547 0 C3'-C2'-C1' 102.916 1.573 . 0.98 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ' U' . . . . . 0.761 " O2'" ' H8 ' ' A' ' 44' ' ' ' G' . . . . . . . . 1 P--O5' 1.634 4.117 0 C3'-C2'-C1' 103.352 2.058 . 0.966 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ' G' . . . . . 0.761 ' H8 ' " O2'" ' A' ' 43' ' ' ' U' . . . . . . . . 0 P--O5' 1.625 3.174 0 C3'-C2'-C1' 103.595 2.328 . 0.9 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ' G' . . . . . 0.644 " O2'" " C5'" ' A' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.43 -1.911 0 C3'-C2'-C1' 103.735 2.483 . 0.881 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ' C' . . . . . 0.644 " C5'" " O2'" ' A' ' 45' ' ' ' G' . . . . . . . . 0 P--O5' 1.624 3.115 0 P-O3'-C3' 123.453 3.128 . 0.01 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ' A' . . . . . 0.457 " H5'" " O2'" ' A' ' 46' ' ' ' C' . . . . . . . . 0 P--O5' 1.628 3.525 0 P-O3'-C3' 122.402 2.251 . 0.953 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.877 0 P-O3'-C3' 121.838 1.781 . 0.96 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.633 4.027 0 C5'-C4'-C3' 118.42 1.947 . 0.962 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.125 0 C3'-C2'-C1' 103.181 1.867 . 0.957 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ' C' . . . . . 0.472 " O2'" " H5'" ' A' ' 52' ' ' ' C' . . . . . . . . 1 P--O5' 1.637 4.44 0 C5'-C4'-C3' 118.492 1.994 . 0.952 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ' C' . . . . . 0.472 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 P--O5' 1.631 3.831 0 C3'-C2'-C1' 103.339 2.043 . 0.95 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ARG . . . . . 0.41 ' HB2' HH21 ' B' ' 1' ' ' ARG . 3.3 ptp180 . . . . . 0 C--O 1.24 0.598 0 CA-C-O 121.622 0.725 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.607 HG13 ' O ' ' B' ' 2' ' ' VAL . 7.3 p -121.79 99.26 6.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.073 178.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . 0.698 HH21 ' N4 ' ' A' ' 30' ' ' ' C' . 20.7 mtp85 -84.08 156.03 22.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.937 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.648 HG23 ' O ' ' B' ' 4' ' ' THR . 13.8 t -125.96 114.4 18.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.807 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.48 ' O ' ' CB ' ' B' ' 8' ' ' ARG . 2.6 mmp_? -112.7 134.94 53.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.155 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' B' ' 5' ' ' ARG . . . 33.86 77.84 0.04 OUTLIER Glycine 0 N--CA 1.48 1.578 0 N-CA-C 110.168 -1.173 . . . . 0.0 110.168 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' B' ' 6' ' ' GLY . 9.4 pttp 37.74 38.48 0.17 Allowed 'General case' 0 N--CA 1.457 -0.125 0 CA-C-N 117.642 0.721 . . . . 0.0 110.874 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' B' ' 5' ' ' ARG . 5.8 ttm-85 -134.26 135.7 43.07 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.507 ' NH2' ' OP2' ' A' ' 41' ' ' ' C' . 4.7 tpt180 -79.51 137.38 37.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.559 ' N ' ' O ' ' B' ' 3' ' ' ARG . 4.0 mm -129.88 116.23 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.239 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.475 ' NH1' ' OP2' ' A' ' 39' ' ' ' C' . 0.0 OUTLIER -95.58 110.18 22.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.066 -179.755 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . 0.649 ' NH2' ' HE ' ' B' ' 3' ' ' ARG . 10.2 mtt180 -129.74 112.74 13.92 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.627 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo . . . . . 0 N--CA 1.493 1.496 0 C-N-CA 122.289 1.993 . . . . 0.0 112.703 -179.804 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ' G' . . . . . 0.787 " O2'" ' H8 ' ' A' ' 23' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.53 1.517 0 C3'-C2'-C1' 103.62 2.355 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ' G' . . . . . 0.787 ' H8 ' " O2'" ' A' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.623 0 C3'-C2'-C1' 103.15 1.834 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.336 0 O5'-C5'-C4' 112.812 1.866 . 0.969 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . 0.422 " O2'" " H5'" ' A' ' 26' ' ' ' U' . . . . . . . . 0 P--O5' 1.627 3.353 0 C5'-C4'-C3' 118.335 1.89 . 0.961 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ' U' . . . . . 0.442 " O2'" " H5'" ' A' ' 27' ' ' ' U' . . . . . . . . 0 P--O5' 1.627 3.431 0 C5'-C4'-C3' 118.385 1.923 . 0.956 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ' U' . . . . . 0.632 " O2'" " H5'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 P--O5' 1.626 3.284 0 P-O3'-C3' 121.872 1.81 . 0.959 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ' G' . . . . . 0.632 " H5'" " O2'" ' A' ' 27' ' ' ' U' . . . . . . . . 0 P--O5' 1.622 2.92 0 C3'-C2'-C1' 103.88 2.644 OUTLIER-DELTA 0.141 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ' A' . . . . . 0.607 ' H62' ' N2 ' ' A' ' 45' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.565 0 C3'-C2'-C1' 103.327 2.03 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . 0.654 ' N4 ' ' NH1' ' B' ' 5' ' ' ARG . . . . . . . . 0 O4'--C4' 1.423 -2.516 0 C3'-C2'-C1' 104.454 3.282 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.481 0 C3'-C2'-C1' 104.697 3.553 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ' G' . . . . . 0.537 " O2'" " H5'" ' A' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.593 0 C3'-C2'-C1' 102.993 1.659 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ' U' . . . . . 0.537 " H5'" " O2'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 P--O5' 1.621 2.835 0 P-O3'-C3' 122.465 2.304 . 0.772 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ' U' . . . . . 0.794 " O2'" " H5'" ' A' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.489 0 C3'-C2'-C1' 104.026 2.807 . 0.56 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ' G' . . . . . 0.816 HO2' ' H8 ' ' A' ' 36' ' ' ' A' . . . . . . . . 0 P--O5' 1.615 2.219 0 C4'-C3'-C2' 104.967 2.267 . 0.919 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ' A' . . . . . 1.016 " O2'" " H5'" ' A' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.421 0 P-O3'-C3' 123.888 3.49 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ' A' . . . . . 1.016 " H5'" " O2'" ' A' ' 36' ' ' ' A' . . . . . . . . 0 P--O5' 1.62 2.664 0 P-O3'-C3' 123.96 3.55 . 0.856 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ' U' . . . . . 0.739 ' OP2' " H4'" ' A' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.429 -2.018 0 C3'-C2'-C1' 103.855 2.617 . 0.16 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ' C' . . . . . 0.644 " O2'" " H5'" ' A' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.782 0 C3'-C2'-C1' 103.27 1.966 . 0.055 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ' U' . . . . . 0.866 " O2'" ' H6 ' ' A' ' 41' ' ' ' C' . . . . . . . . 0 P--O5' 1.618 2.472 0 C4'-C3'-C2' 104.769 2.069 . 0.883 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ' C' . . . . . 0.866 ' H6 ' " O2'" ' A' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.135 0 C3'-C2'-C1' 103.927 2.697 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ' A' . . . . . 0.796 ' N3 ' " H2'" ' A' ' 42' ' ' ' A' . . . . . . . . 0 P--O5' 1.623 3.006 0 P-O3'-C3' 121.644 1.62 . 0.93 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ' U' . . . . . 0.676 " O2'" " C5'" ' A' ' 44' ' ' ' G' . . . . . . . . 0 P--O5' 1.628 3.546 0 C3'-C2'-C1' 103.921 2.689 OUTLIER-DELTA 0.086 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ' G' . . . . . 0.676 " C5'" " O2'" ' A' ' 43' ' ' ' U' . . . . . . . . 0 P--O5' 1.615 2.18 0 C3'-C2'-C1' 104.005 2.783 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ' G' . . . . . 0.65 ' H8 ' " O5'" ' A' ' 45' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.431 -1.855 0 C3'-C2'-C1' 103.818 2.575 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ' C' . . . . . 0.778 HO2' ' H8 ' ' A' ' 47' ' ' ' A' . . . . . . . . 0 P--O5' 1.615 2.173 0 C3'-C2'-C1' 103.742 2.491 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ' A' . . . . . 0.778 ' H8 ' HO2' ' A' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.583 0 C3'-C2'-C1' 103.292 1.991 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.173 0 O5'-C5'-C4' 113.018 2.013 . 0.958 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ' C' . . . . . 0.426 " O2'" " H5'" ' A' ' 50' ' ' ' A' . . . . . . . . 0 P--O5' 1.627 3.368 0 C5'-C4'-C3' 118.701 2.134 . 0.957 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ' A' . . . . . 0.426 " H5'" " O2'" ' A' ' 49' ' ' ' C' . . . . . . . . 0 P--O5' 1.628 3.535 0 C3'-C2'-C1' 103.34 2.044 . 0.953 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ' C' . . . . . 0.467 " O2'" " H5'" ' A' ' 52' ' ' ' C' . . . . . . . . 0 P--O5' 1.629 3.645 0 C5'-C4'-C3' 118.588 2.059 . 0.952 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ' C' . . . . . 0.467 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 P--O5' 1.625 3.211 0 C3'-C2'-C1' 103.342 2.047 . 0.952 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ARG . . . . . 0.542 ' NH1' HG22 ' B' ' 10' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.464 0 CA-C-O 121.257 0.551 . . . . 0.0 111.701 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.419 ' O ' HG22 ' B' ' 2' ' ' VAL . 0.2 OUTLIER -135.95 108.26 7.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.974 178.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . 0.571 ' NH2' ' C5 ' ' A' ' 43' ' ' ' U' . 5.1 mmt-85 -100.85 155.29 18.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.636 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.6 ' OG1' ' N6 ' ' A' ' 42' ' ' ' A' . 5.4 p -126.19 107.09 10.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.654 ' NH1' ' N4 ' ' A' ' 30' ' ' ' C' . 15.8 mmt180 -117.49 133.49 55.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.37 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . 0.506 ' C ' ' O ' ' B' ' 5' ' ' ARG . . . 31.11 81.03 0.01 OUTLIER Glycine 0 N--CA 1.474 1.212 0 N-CA-C 110.197 -1.161 . . . . 0.0 110.197 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' B' ' 6' ' ' GLY . 0.0 OUTLIER 35.25 39.92 0.06 Allowed 'General case' 0 C--N 1.342 0.255 0 CA-C-N 117.613 0.707 . . . . 0.0 110.813 -179.596 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.517 ' CB ' ' O ' ' B' ' 5' ' ' ARG . 1.6 ttt180 -133.87 107.93 8.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.845 179.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.406 ' C ' HD13 ' B' ' 10' ' ' ILE . 18.6 ttp85 -80.29 115.71 19.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.969 -179.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.542 HG22 ' NH1' ' B' ' 1' ' ' ARG . 3.6 mm -102.1 98.67 7.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.787 179.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.536 ' O ' ' CG ' ' B' ' 11' ' ' ARG . 8.6 ptt180 -94.93 117.33 29.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.518 -179.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . 0.57 ' NE ' ' OP2' ' A' ' 29' ' ' ' A' . 2.4 tmt_? -133.76 102.94 5.65 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.097 179.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo . . . . . 0 N--CA 1.492 1.419 0 C-N-CA 122.255 1.97 . . . . 0.0 113.528 -179.427 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ' G' . . . . . 0.777 " O2'" ' H8 ' ' A' ' 23' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.531 1.639 0 C3'-C2'-C1' 103.637 2.374 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ' G' . . . . . 0.777 ' H8 ' " O2'" ' A' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.535 0 C3'-C2'-C1' 102.951 1.613 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.225 0 O5'-C5'-C4' 112.635 1.74 . 0.969 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.236 0 C5'-C4'-C3' 118.355 1.903 . 0.963 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ' U' . . . . . 0.463 ' OP2' ' NH1' ' B' ' 8' ' ' ARG . . . . . . . . 0 P--O5' 1.626 3.334 0 C5'-C4'-C3' 118.245 1.83 . 0.96 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ' U' . . . . . 0.405 " O2'" " H5'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 P--O5' 1.625 3.202 0 C3'-C2'-C1' 102.99 1.655 . 0.965 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ' G' . . . . . 0.461 ' N1 ' ' N6 ' ' A' ' 29' ' ' ' A' . . . . . . . . 0 P--O5' 1.625 3.221 0 C3'-C2'-C1' 103.099 1.777 . 0.972 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ' A' . . . . . 0.867 HO2' ' H6 ' ' A' ' 30' ' ' ' C' . . . . . . . . 0 P--O5' 1.621 2.81 0 C3'-C2'-C1' 104.089 2.877 . 0.199 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . 0.867 ' H6 ' HO2' ' A' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.081 0 C3'-C2'-C1' 103.021 1.69 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ' U' . . . . . 0.702 " O2'" " H5'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.897 0 C3'-C2'-C1' 103.483 2.203 . 0.887 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ' G' . . . . . 0.702 " H5'" " O2'" ' A' ' 31' ' ' ' U' . . . . . . . . 0 P--O5' 1.619 2.621 0 P-O3'-C3' 122.26 2.133 . 0.907 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.98 0 P-O3'-C3' 123.201 2.918 . 0.886 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ' U' . . . . . 0.506 ' O4 ' ' N3 ' ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.664 0 C3'-C2'-C1' 103.682 2.425 . 0.73 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ' G' . . . . . 0.606 ' C6 ' ' N1 ' ' A' ' 36' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.147 0 C3'-C2'-C1' 104.032 2.813 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ' A' . . . . . 0.759 " O2'" " H5'" ' A' ' 37' ' ' ' A' . . . . . . . . 0 P--O5' 1.613 2.042 0 C3'-C2'-C1' 103.254 1.949 . 0.865 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ' A' . . . . . 0.759 " H5'" " O2'" ' A' ' 36' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.434 -1.566 0 C3'-C2'-C1' 103.836 2.595 . 0.04 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ' U' . . . . . 0.713 " H5'" " O2'" ' A' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.431 -1.816 0 C3'-C2'-C1' 103.873 2.636 . 0.063 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ' C' . . . . . 0.462 ' P ' HO2' ' A' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.861 0 C3'-C2'-C1' 103.349 2.054 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ' U' . . . . . 0.518 ' OP2' ' CZ ' ' B' ' 9' ' ' ARG . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 C3'-C2'-C1' 102.933 1.592 . 0.122 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ' C' . . . . . 0.684 " O2'" " H5'" ' A' ' 42' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.115 0 C3'-C2'-C1' 104.075 2.861 . 0.98 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ' A' . . . . . 0.698 " O2'" " H5'" ' A' ' 43' ' ' ' U' . . . . . . . . 0 P--O5' 1.621 2.788 0 C3'-C2'-C1' 102.802 1.446 . 0.941 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ' U' . . . . . 0.698 " H5'" " O2'" ' A' ' 42' ' ' ' A' . . . . . . . . 0 P--O5' 1.624 3.08 0 P-O3'-C3' 123.45 3.125 . 0.924 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ' G' . . . . . 0.618 ' C8 ' " O2'" ' A' ' 43' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.429 -2.031 0 P-O3'-C3' 122.063 1.969 . 0.754 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ' G' . . . . . 0.572 ' N7 ' ' OP2' ' A' ' 44' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.386 0 P-O3'-C3' 122.077 1.981 . 0.01 6j . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ' C' . . . . . 0.826 HO2' ' H8 ' ' A' ' 47' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.43 -1.907 0 C3'-C2'-C1' 103.482 2.202 . 0.15 3b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ' A' . . . . . 0.826 ' H8 ' HO2' ' A' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.737 0 C3'-C2'-C1' 103.258 1.953 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.211 0 O5'-C5'-C4' 112.836 1.883 . 0.967 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ' C' . . . . . 0.417 " O2'" " H5'" ' A' ' 50' ' ' ' A' . . . . . . . . 0 P--O5' 1.626 3.278 0 C5'-C4'-C3' 118.899 2.266 . 0.959 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ' A' . . . . . 0.417 " H5'" " O2'" ' A' ' 49' ' ' ' C' . . . . . . . . 0 P--O5' 1.626 3.345 0 C5'-C4'-C3' 118.513 2.009 . 0.953 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ' C' . . . . . 0.484 " O2'" " H5'" ' A' ' 52' ' ' ' C' . . . . . . . . 0 P--O5' 1.628 3.473 0 C5'-C4'-C3' 118.837 2.225 . 0.952 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ' C' . . . . . 0.484 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 P--O5' 1.626 3.265 0 C3'-C2'-C1' 103.47 2.188 . 0.949 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ARG . . . . . 0.785 ' HE ' ' H41' ' A' ' 30' ' ' ' C' . 0.0 OUTLIER . . . . . 0 C--O 1.243 0.716 0 CA-C-O 121.432 0.634 . . . . 0.0 111.712 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.5 p -128.66 101.55 6.95 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.978 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . 0.68 HH11 ' H ' ' B' ' 4' ' ' THR . 0.0 OUTLIER -91.71 156.72 17.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.322 -179.224 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.68 ' H ' HH11 ' B' ' 3' ' ' ARG . 17.0 p -126.45 87.34 2.65 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.671 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.505 ' O ' ' N ' ' B' ' 8' ' ' ARG . 3.8 mmm180 -91.4 131.67 36.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.496 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' B' ' 5' ' ' ARG . . . 34.92 73.25 0.1 OUTLIER Glycine 0 N--CA 1.473 1.152 0 N-CA-C 109.931 -1.268 . . . . 0.0 109.931 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.448 ' CG ' ' O ' ' B' ' 6' ' ' GLY . 16.6 pttt 40.65 37.43 0.48 Allowed 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 117.418 0.609 . . . . 0.0 110.648 -179.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' B' ' 5' ' ' ARG . 8.0 ttt180 -133.03 118.2 18.51 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.559 HH12 ' HE ' ' B' ' 11' ' ' ARG . 10.0 ttt-85 -78.73 141.63 37.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.952 -178.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' B' ' 3' ' ' ARG . 1.7 mt -125.82 108.29 19.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.327 179.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.559 ' HE ' HH12 ' B' ' 9' ' ' ARG . 13.1 ttm180 -93.48 105.32 17.39 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.647 0.592 . . . . 0.0 110.491 -179.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . 0.446 ' NH2' ' OP2' ' A' ' 28' ' ' ' G' . 69.1 mtt-85 -131.47 100.41 5.14 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.384 0.611 . . . . 0.0 110.314 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo . . . . . 0 N--CA 1.491 1.379 0 C-N-CA 122.276 1.984 . . . . 0.0 113.235 -179.656 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ' G' . . . . . 0.768 " O2'" ' H8 ' ' A' ' 23' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.53 1.534 0 C3'-C2'-C1' 103.633 2.37 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ' G' . . . . . 0.768 ' H8 ' " O2'" ' A' ' 22' ' ' ' G' . . . . . . . . 0 P--O5' 1.617 2.364 0 C1'-O4'-C4' 108.006 -1.771 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.682 0 O5'-C5'-C4' 112.835 1.882 . 0.968 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.512 0 O5'-C5'-C4' 112.665 1.761 . 0.963 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.654 0 O5'-C5'-C4' 112.556 1.683 . 0.962 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ' U' . . . . . 0.604 ' C5 ' ' NH1' ' B' ' 12' ' ' ARG . . . . . . . . 0 P--O5' 1.629 3.601 0 C3'-C2'-C1' 102.788 1.431 . 0.971 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ' G' . . . . . 0.798 HO2' ' H8 ' ' A' ' 29' ' ' ' A' . . . . . . . . 0 P--O5' 1.624 3.147 0 C4'-C3'-C2' 105.725 3.025 OUTLIER-DELTA 0.115 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ' A' . . . . . 0.798 ' H8 ' HO2' ' A' ' 28' ' ' ' G' . . . . . . . . 0 P--O5' 1.617 2.395 0 C3'-C2'-C1' 103.835 2.594 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . 0.779 ' O2 ' ' H5 ' ' A' ' 31' ' ' ' U' . . . . . . . . 0 P--O5' 1.617 2.416 0 P-O3'-C3' 121.563 1.552 . 0.017 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ' U' . . . . . 0.831 " O2'" " H5'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 P--O5' 1.632 3.937 0 C3'-C2'-C1' 104.529 3.366 OUTLIER-DELTA 0.027 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ' G' . . . . . 0.897 HO2' ' H6 ' ' A' ' 33' ' ' ' U' . . . . . . . . 0 P--O5' 1.616 2.258 0 C3'-C2'-C1' 103.843 2.603 . 0.124 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ' U' . . . . . 0.897 ' H6 ' HO2' ' A' ' 32' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.133 0 C3'-C2'-C1' 103.246 1.94 . 0.056 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.343 0 C3'-C2'-C1' 103.405 2.117 . 0.68 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.252 0 C3'-C2'-C1' 103.738 2.486 . 0.66 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.012 0 C3'-C2'-C1' 103.687 2.431 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.77 0 C3'-C2'-C1' 103.746 2.495 . 0.448 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ' U' . . . . . 0.624 " O2'" " H5'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.765 0 C3'-C2'-C1' 102.993 1.659 . 0.767 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ' C' . . . . . 0.885 " O2'" ' H6 ' ' A' ' 40' ' ' ' U' . . . . . . . . 0 P--O5' 1.62 2.652 0 C3'-C2'-C1' 103.471 2.19 . 0.891 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ' U' . . . . . 0.885 ' H6 ' " O2'" ' A' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.939 0 C3'-C2'-C1' 103.27 1.966 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ' C' . . . . . 0.875 " O2'" ' H8 ' ' A' ' 42' ' ' ' A' . . . . . . . . 0 P--O5' 1.619 2.569 0 C3'-C2'-C1' 103.29 1.989 . 0.876 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ' A' . . . . . 0.875 ' H8 ' " O2'" ' A' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.443 2.405 0 C1'-O4'-C4' 108.092 -1.675 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ' U' . . . . . 0.643 ' C6 ' ' N3 ' ' A' ' 42' ' ' ' A' . . . . . . . . 0 P--O5' 1.624 3.12 0 C3'-C2'-C1' 104.262 3.069 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ' G' . . . . . 0.595 " O2'" ' N7 ' ' A' ' 45' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.236 0 C3'-C2'-C1' 103.637 2.375 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ' G' . . . . . 0.736 " O2'" ' H6 ' ' A' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.428 -2.055 0 C3'-C2'-C1' 103.55 2.277 . 0.616 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ' C' . . . . . 0.736 ' H6 ' " O2'" ' A' ' 45' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.443 2.418 0 P-O3'-C3' 122.377 2.231 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ' A' . . . . . 0.422 " H5'" " O2'" ' A' ' 46' ' ' ' C' . . . . . . . . 0 P--O5' 1.627 3.441 0 P-O3'-C3' 121.977 1.898 . 0.959 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.57 0 O5'-C5'-C4' 112.508 1.648 . 0.961 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.451 0 C5'-C4'-C3' 118.622 2.081 . 0.961 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.606 0 C5'-C4'-C3' 118.275 1.85 . 0.958 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ' C' . . . . . 0.47 " O2'" " H5'" ' A' ' 52' ' ' ' C' . . . . . . . . 0 P--O5' 1.632 3.896 0 C5'-C4'-C3' 118.576 2.05 . 0.954 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ' C' . . . . . 0.47 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 P--O5' 1.626 3.327 0 C3'-C2'-C1' 103.423 2.137 . 0.952 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ARG . . . . . 0.541 ' NH1' ' C6 ' ' A' ' 30' ' ' ' C' . 4.9 ptm180 . . . . . 0 C--O 1.24 0.566 0 CA-C-O 121.245 0.545 . . . . 0.0 111.549 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.855 HG13 ' NH2' ' B' ' 9' ' ' ARG . 19.3 t -107.38 96.22 4.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.929 178.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . 0.59 ' O ' ' N ' ' B' ' 10' ' ' ILE . 0.0 OUTLIER -85.41 135.34 33.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.059 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.59 HG23 ' O ' ' B' ' 4' ' ' THR . 4.9 t -130.61 119.2 22.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.628 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.705 ' O ' ' N ' ' B' ' 7' ' ' LYS . 51.0 mtp180 -92.99 129.35 38.94 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.241 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . 0.558 ' N ' ' OP2' ' A' ' 45' ' ' ' G' . . . 30.95 -80.86 0.0 OUTLIER Glycine 0 N--CA 1.48 1.606 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.705 ' N ' ' O ' ' B' ' 5' ' ' ARG . 1.3 mtpm? -134.8 48.11 2.32 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-N 117.568 0.684 . . . . 0.0 110.07 178.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.552 ' N ' ' O ' ' B' ' 5' ' ' ARG . 47.6 mtp85 -142.6 129.89 21.05 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.965 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.855 ' NH2' HG13 ' B' ' 2' ' ' VAL . 0.5 OUTLIER -83.06 129.88 35.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.957 -179.696 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.59 ' N ' ' O ' ' B' ' 3' ' ' ARG . 0.4 OUTLIER -132.2 105.03 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.803 179.108 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.529 ' CZ ' ' OP2' ' A' ' 39' ' ' ' C' . 0.8 OUTLIER -95.65 120.52 36.05 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.564 -179.37 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . 0.683 ' NH2' ' N7 ' ' A' ' 28' ' ' ' G' . 46.3 mtt180 -135.47 126.27 27.41 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.686 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' DPR . . . . . 0.408 ' C ' ' O ' ' B' ' 12' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo . . . . . 0 N--CA 1.49 1.316 0 C-N-CA 122.46 2.106 . . . . 0.0 112.789 -179.757 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ' G' . . . . . 0.769 " O2'" ' H8 ' ' A' ' 23' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.528 1.382 0 C3'-C2'-C1' 103.506 2.229 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ' G' . . . . . 0.769 ' H8 ' " O2'" ' A' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.088 0 C5'-C4'-C3' 118.398 1.932 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ' U' . . . . . 0.42 " H5'" " O2'" ' A' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.135 0 C5'-C4'-C3' 118.787 2.191 . 0.963 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ' G' . . . . . 0.443 " O2'" " H5'" ' A' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.067 0 C5'-C4'-C3' 119.129 2.419 . 0.954 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ' U' . . . . . 0.525 ' O4 ' ' NH2' ' B' ' 5' ' ' ARG . . . . . . . . 0 O4'--C4' 1.412 -3.388 0 C5'-C4'-C3' 119.078 2.385 . 0.953 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ' U' . . . . . 0.407 " O2'" " H5'" ' A' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.409 -3.683 0 C5'-C4'-C3' 118.389 1.926 . 0.961 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ' G' . . . . . 0.607 ' N1 ' ' N6 ' ' A' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.406 -3.925 0 C5'-C4'-C3' 118.916 2.277 . 0.968 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ' A' . . . . . 0.898 HO2' ' H6 ' ' A' ' 30' ' ' ' C' . . . . . . . . 0 P--O5' 1.617 2.363 0 C3'-C2'-C1' 103.48 2.2 . 0.552 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ' C' . . . . . 0.898 ' H6 ' HO2' ' A' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.292 0 C3'-C2'-C1' 102.823 1.47 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ' U' . . . . . 0.538 ' C2 ' ' O6 ' ' A' ' 44' ' ' ' G' . . . . . . . . 0 P--O5' 1.618 2.46 0 C4'-C3'-C2' 105.222 2.522 . 0.273 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ' G' . . . . . 0.527 ' N3 ' ' O4 ' ' A' ' 34' ' ' ' U' . . . . . . . . 0 P--O5' 1.611 1.765 0 C3'-C2'-C1' 103.501 2.224 . 0.133 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ' U' . . . . . 0.401 " O5'" " O2'" ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -1.961 0 C3'-C2'-C1' 103.416 2.129 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ' U' . . . . . 0.527 ' O4 ' ' N3 ' ' A' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.642 0 C3'-C2'-C1' 103.366 2.073 . 0.658 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ' G' . . . . . 0.7 " O2'" " H5'" ' A' ' 36' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.479 0 C3'-C2'-C1' 103.451 2.167 . 0.737 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ' A' . . . . . 0.7 " H5'" " O2'" ' A' ' 35' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.884 0 C3'-C2'-C1' 103.405 2.117 . 0.873 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ' A' . . . . . 0.664 " O5'" " O2'" ' A' ' 36' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.496 0 C3'-C2'-C1' 103.776 2.528 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ' U' . . . . . 0.642 " H5'" " O2'" ' A' ' 37' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.216 0 C3'-C2'-C1' 103.067 1.741 . 0.058 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ' C' . . . . . 0.669 " O2'" " O4'" ' A' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.433 -1.705 0 C3'-C2'-C1' 103.473 2.192 . 0.858 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ' U' . . . . . 0.792 " O2'" " H5'" ' A' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.412 -3.452 0 C3'-C2'-C1' 103.442 2.158 . 0.017 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ' C' . . . . . 0.853 " O2'" ' H8 ' ' A' ' 42' ' ' ' A' . . . . . . . . 0 P--O5' 1.616 2.259 0 C3'-C2'-C1' 103.644 2.382 . 0.924 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ' A' . . . . . 0.853 ' H8 ' " O2'" ' A' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.25 0 C1'-O4'-C4' 108.062 -1.708 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ' U' . . . . . 0.683 ' C6 ' ' N3 ' ' A' ' 42' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.133 0 C3'-C2'-C1' 103.779 2.532 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ' G' . . . . . 0.732 " O2'" ' H8 ' ' A' ' 45' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -1.975 0 C3'-C2'-C1' 103.297 1.997 . 0.277 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ' G' . . . . . 0.75 " O2'" " H5'" ' A' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.1 0 C5'-C4'-C3' 118.361 1.908 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ' C' . . . . . 0.75 " H5'" " O2'" ' A' ' 45' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.444 2.495 0 C5'-C4'-C3' 118.264 1.843 . 0.931 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ' A' . . . . . 0.462 " H5'" " O2'" ' A' ' 46' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.025 0 C5'-C4'-C3' 118.248 1.832 . 0.951 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.393 0 C5'-C4'-C3' 118.616 2.077 . 0.955 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ' C' . . . . . 0.457 " O2'" " H5'" ' A' ' 50' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.412 -3.404 0 C5'-C4'-C3' 119.421 2.614 . 0.957 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ' A' . . . . . 0.457 " H5'" " O2'" ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.414 -3.24 0 C5'-C4'-C3' 119.428 2.619 . 0.947 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ' C' . . . . . 0.484 " O2'" " H5'" ' A' ' 52' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.326 0 C5'-C4'-C3' 119.325 2.55 . 0.943 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ' C' . . . . . 0.484 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.311 0 C3'-C2'-C1' 103.457 2.175 . 0.944 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ARG . . . . . 0.581 ' CD ' HH12 ' B' ' 12' ' ' ARG . 3.1 ptp85 . . . . . 0 C--O 1.238 0.464 0 CA-C-O 120.93 0.395 . . . . 0.0 110.573 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.432 HG11 ' N4 ' ' A' ' 41' ' ' ' C' . 1.5 p -118.76 107.65 22.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.351 178.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . 0.684 ' CG ' HH11 ' B' ' 12' ' ' ARG . 1.8 mmm180 -83.06 152.06 25.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.944 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.651 HG23 ' O ' ' B' ' 4' ' ' THR . 14.8 t -132.22 114.72 14.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.781 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.71 ' HB2' HD11 ' B' ' 10' ' ' ILE . 3.2 ttp180 -92.33 117.79 30.26 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.564 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 45.4 -79.82 0.0 OUTLIER Glycine 0 N--CA 1.472 1.076 0 N-CA-C 110.222 -1.151 . . . . 0.0 110.222 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.671 ' N ' ' O ' ' B' ' 5' ' ' ARG . 17.9 pttt -140.3 45.01 1.86 Allowed 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.947 0.403 . . . . 0.0 110.173 179.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -140.87 132.65 27.4 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.301 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 10.1 tpp85 -79.24 140.23 37.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.99 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.71 HD11 ' HB2' ' B' ' 5' ' ' ARG . 5.1 mt -132.17 120.55 43.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.491 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -95.32 113.62 25.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.697 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . 0.684 HH11 ' CG ' ' B' ' 3' ' ' ARG . 22.2 mtm105 -131.88 109.84 10.38 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.558 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' DPR . . . . . 0.402 ' C ' ' O ' ' B' ' 12' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo . . . . . 0 C--N 1.313 -1.318 0 C-N-CA 122.306 2.004 . . . . 0.0 112.892 179.948 . . . . . . . . 0 0 . 1 stop_ save_