data_1a1p_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 1a1p _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.4 ' O ' HG21 ' A' ' 3' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.362 0.601 . . . . 0.0 110.051 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.538 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 25.2 t -141.74 9.76 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.341 -0.85 . . . . 0.0 110.396 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.486 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 0.9 OUTLIER -67.18 164.81 2.18 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.034 0 CA-C-O 121.618 0.723 . . . . 0.0 109.949 179.927 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.524 ' HG2' ' CZ2' ' A' ' 7' ' ' TRP . 6.7 mt-30 47.93 95.84 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.682 0 CA-C-O 121.97 0.891 . . . . 0.0 109.969 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -76.76 -40.91 46.81 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-O 121.533 0.682 . . . . 0.0 110.571 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.656 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 6.8 p-90 -78.73 -14.89 59.05 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.223 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.656 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -136.63 82.9 0.27 Allowed Glycine 0 N--CA 1.487 2.073 0 N-CA-C 110.046 -1.221 . . . . 0.0 110.046 -179.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -83.13 -175.83 6.03 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.369 -1.077 . . . . 0.0 109.489 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.451 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 37.9 m-70 -125.73 -82.77 0.63 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.065 -1.022 . . . . 0.0 110.291 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.534 ' CG ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -178.14 74.98 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.969 -1.082 . . . . 0.0 110.059 179.689 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 87.8 m . . . . . 0 N--CA 1.491 1.582 0 O-C-N 121.198 -0.938 . . . . 0.0 110.074 -179.892 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.524 0.678 . . . . 0.0 110.064 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.478 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 50.2 t -132.55 9.83 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 CA-C-O 121.777 0.799 . . . . 0.0 109.84 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.563 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 1.3 p -55.41 170.57 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.293 -1.891 0 CA-C-O 121.513 0.673 . . . . 0.0 110.073 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.563 ' N ' ' CG2' ' A' ' 4' ' ' VAL . 19.7 mt-30 48.36 96.38 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.634 0 CA-C-O 121.694 0.759 . . . . 0.0 109.645 -179.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.5 -22.95 66.78 Favored 'General case' 0 C--N 1.292 -1.907 0 CA-C-O 121.514 0.673 . . . . 0.0 110.039 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.52 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 4.5 p-90 -112.59 -19.03 12.24 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.618 -0.676 . . . . 0.0 109.936 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.52 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -92.87 58.29 2.5 Favored Glycine 0 N--CA 1.485 1.91 0 N-CA-C 109.753 -1.339 . . . . 0.0 109.753 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 57.5 m170 -79.8 127.7 32.54 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.127 -1.219 . . . . 0.0 110.593 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.47 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 90.8 m-70 -100.74 -92.47 0.3 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.261 -0.899 . . . . 0.0 110.221 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.473 ' CG ' ' O ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -179.42 82.84 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.271 -0.893 . . . . 0.0 109.923 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 92.6 m . . . . . 0 N--CA 1.49 1.556 0 O-C-N 121.193 -0.942 . . . . 0.0 110.198 -179.864 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.54 0.686 . . . . 0.0 110.072 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.525 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 1.2 t -124.3 10.11 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.449 -0.782 . . . . 0.0 110.188 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.502 ' O ' ' O ' ' A' ' 5' ' ' GLN . 0.1 OUTLIER -33.93 150.64 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 CA-C-O 121.488 0.661 . . . . 0.0 110.453 -179.653 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.538 ' CB ' ' HA3' ' A' ' 8' ' ' GLY . 92.2 mt-30 42.56 97.91 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.575 0 CA-C-O 122.269 1.033 . . . . 0.0 109.49 -178.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 5' ' ' GLN . 0.7 OUTLIER -42.12 -28.5 0.19 Allowed 'General case' 0 C--N 1.294 -1.839 0 CA-C-O 121.549 0.69 . . . . 0.0 109.813 -179.606 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.638 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 5.2 p-90 -121.66 -13.59 8.31 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-O 121.544 0.688 . . . . 0.0 110.156 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.638 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -81.06 56.68 4.85 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 -179.239 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -79.66 95.0 5.8 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.264 -1.139 . . . . 0.0 109.372 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -91.86 -57.71 2.65 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.292 -0.88 . . . . 0.0 111.949 -178.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.426 ' CG ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -143.65 85.47 1.83 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.028 -1.045 . . . . 0.0 111.192 -178.841 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.531 -0.731 . . . . 0.0 110.094 179.329 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.45 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 26.7 p . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 121.457 0.646 . . . . 0.0 110.047 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.535 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 41.1 t -147.18 11.79 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 CA-C-O 121.814 0.816 . . . . 0.0 110.383 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.478 ' O ' ' C ' ' A' ' 5' ' ' GLN . 6.3 p -81.49 -176.87 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.289 -2.053 0 O-C-N 121.699 -0.626 . . . . 0.0 109.42 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.591 ' HG3' ' CH2' ' A' ' 7' ' ' TRP . 0.5 OUTLIER 40.19 45.83 1.8 Allowed 'General case' 0 C--N 1.297 -1.715 0 CA-C-O 121.78 0.8 . . . . 0.0 109.756 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.506 ' O ' ' NE2' ' A' ' 9' ' ' HIS . 35.7 m-20 -40.42 -26.08 0.03 OUTLIER 'General case' 0 C--N 1.293 -1.877 0 O-C-N 121.632 -0.667 . . . . 0.0 110.723 -179.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.598 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 2.4 p-90 -102.36 -11.83 18.36 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.187 -0.946 . . . . 0.0 110.367 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.598 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -127.06 78.39 0.38 Allowed Glycine 0 N--CA 1.484 1.872 0 N-CA-C 110.013 -1.235 . . . . 0.0 110.013 -179.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.506 ' NE2' ' O ' ' A' ' 6' ' ' ASP . 45.0 m170 -77.68 158.63 29.6 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.174 -1.192 . . . . 0.0 110.382 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -117.2 -69.43 0.85 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.277 -0.889 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -179.1 89.13 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.509 -0.745 . . . . 0.0 110.111 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.1 m . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.309 -0.869 . . . . 0.0 110.251 -179.877 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.473 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 8.4 p . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.479 0.657 . . . . 0.0 109.982 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.426 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 94.4 t -150.12 14.79 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.138 -0.976 . . . . 0.0 110.302 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.554 HG21 ' N ' ' A' ' 5' ' ' GLN . 0.6 OUTLIER -59.2 154.83 3.08 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.001 0 CA-C-O 121.651 0.739 . . . . 0.0 110.039 -179.828 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.594 ' OE1' ' CZ3' ' A' ' 7' ' ' TRP . 2.7 mt-30 48.45 95.8 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 121.805 0.812 . . . . 0.0 110.014 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.407 ' O ' ' NE2' ' A' ' 9' ' ' HIS . 6.8 m-20 -61.47 -21.4 64.14 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-O 121.52 0.676 . . . . 0.0 109.763 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.62 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 6.4 p-90 -118.97 -15.42 9.31 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.559 0.695 . . . . 0.0 110.295 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.62 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -92.59 65.61 2.07 Favored Glycine 0 N--CA 1.486 2.01 0 N-CA-C 109.807 -1.317 . . . . 0.0 109.807 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.407 ' NE2' ' O ' ' A' ' 6' ' ' ASP . 15.0 m170 -79.09 126.57 30.88 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.465 -1.021 . . . . 0.0 110.489 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.472 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -98.07 -74.84 0.57 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.413 -0.804 . . . . 0.0 110.606 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.472 ' HB3' ' O ' ' A' ' 10' ' ' HIS . 0.1 OUTLIER -178.39 65.62 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.106 -0.996 . . . . 0.0 111.041 -179.701 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.495 1.822 0 O-C-N 120.98 -1.075 . . . . 0.0 110.457 179.233 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.144 0.497 . . . . 0.0 110.143 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 36.6 t -110.42 9.13 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.257 -0.902 . . . . 0.0 110.657 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.549 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 1.9 p -97.96 171.6 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.293 -1.885 0 CA-C-O 121.465 0.65 . . . . 0.0 110.023 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.564 ' HG3' ' CH2' ' A' ' 7' ' ' TRP . 0.0 OUTLIER 64.69 35.59 8.8 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-O 121.913 0.863 . . . . 0.0 109.638 179.619 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -43.52 -30.47 0.58 Allowed 'General case' 0 C--N 1.293 -1.876 0 CA-C-O 121.476 0.655 . . . . 0.0 110.105 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.62 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 3.3 p-90 -94.89 -13.99 24.94 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.467 -0.771 . . . . 0.0 110.017 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.62 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -125.97 77.34 0.39 Allowed Glycine 0 N--CA 1.482 1.754 0 N-CA-C 108.971 -1.651 . . . . 0.0 108.971 -179.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -77.45 166.41 23.14 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.162 -1.199 . . . . 0.0 110.78 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.401 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 85.9 m-70 -132.76 -92.99 0.36 Allowed 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.712 -0.617 . . . . 0.0 109.65 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.401 ' HB3' ' O ' ' A' ' 10' ' ' HIS . 1.3 ptt85 -176.28 54.57 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.153 -0.967 . . . . 0.0 110.143 179.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 67.7 m . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.278 -0.889 . . . . 0.0 110.07 179.804 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.481 ' O ' HG21 ' A' ' 3' ' ' VAL . 15.7 p . . . . . 0 N--CA 1.494 1.757 0 CA-C-O 121.216 0.532 . . . . 0.0 110.116 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.515 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 55.5 t -142.62 11.34 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.29 -0.881 . . . . 0.0 110.671 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.495 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 0.7 OUTLIER -56.64 165.43 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.289 -2.034 0 CA-C-O 121.644 0.735 . . . . 0.0 110.419 -179.752 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.495 ' N ' ' CG2' ' A' ' 4' ' ' VAL . 40.8 mt-30 43.6 97.71 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 122.015 0.912 . . . . 0.0 110.101 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.31 -42.81 92.65 Favored 'General case' 0 C--N 1.292 -1.897 0 CA-C-O 121.572 0.701 . . . . 0.0 110.112 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.587 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 8.6 p-90 -93.16 -16.3 25.02 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-O 121.577 0.703 . . . . 0.0 109.902 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.587 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -114.26 71.55 0.24 Allowed Glycine 0 N--CA 1.488 2.103 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -79.07 -176.28 5.01 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.335 -1.097 . . . . 0.0 109.85 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -124.92 -100.07 0.4 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.157 -0.965 . . . . 0.0 110.422 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -156.35 60.59 0.56 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.924 -1.11 . . . . 0.0 110.276 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 86.4 m . . . . . 0 N--CA 1.49 1.556 0 O-C-N 121.371 -0.83 . . . . 0.0 110.076 179.778 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.463 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 1.6 p . . . . . 0 N--CA 1.496 1.871 0 CA-C-O 121.773 0.797 . . . . 0.0 110.518 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 42.0 t -120.08 10.98 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 CA-C-O 122.041 0.924 . . . . 0.0 109.825 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.542 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 1.2 p -55.8 170.93 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 CA-C-O 121.697 0.76 . . . . 0.0 110.457 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.542 ' N ' ' CG2' ' A' ' 4' ' ' VAL . 37.7 mt-30 42.41 93.81 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.479 0 CA-C-O 121.672 0.748 . . . . 0.0 110.368 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.463 ' O ' ' NE2' ' A' ' 9' ' ' HIS . 0.1 OUTLIER -76.74 -18.6 58.38 Favored 'General case' 0 C--N 1.291 -1.952 0 CA-C-O 121.793 0.806 . . . . 0.0 109.697 179.55 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 2.1 p-90 -112.66 -12.98 13.33 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-O 121.598 0.713 . . . . 0.0 109.781 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.455 ' O ' ' HB3' ' A' ' 5' ' ' GLN . . . -125.27 77.96 0.38 Allowed Glycine 0 N--CA 1.48 1.603 0 N-CA-C 109.357 -1.497 . . . . 0.0 109.357 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.492 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 2.8 m170 -77.55 -175.84 4.0 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.223 -1.163 . . . . 0.0 109.895 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -149.35 -74.6 0.17 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.269 -0.894 . . . . 0.0 109.719 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.45 87.85 0.06 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.614 -0.679 . . . . 0.0 109.929 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.463 ' SG ' ' O ' ' A' ' 2' ' ' CYS . 23.5 m . . . . . 0 N--CA 1.49 1.528 0 O-C-N 121.278 -0.889 . . . . 0.0 110.335 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 16.2 p . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 121.251 0.548 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.515 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 46.5 t -129.72 14.15 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.221 -0.924 . . . . 0.0 110.137 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.547 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 1.6 p -71.98 168.85 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.906 0 CA-C-O 121.523 0.678 . . . . 0.0 110.735 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.547 ' N ' ' CG2' ' A' ' 4' ' ' VAL . 65.0 mt-30 38.35 89.69 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.791 0.805 . . . . 0.0 110.394 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -71.23 -17.83 62.48 Favored 'General case' 0 C--N 1.287 -2.125 0 CA-C-O 121.388 0.613 . . . . 0.0 110.238 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.562 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 4.3 p-90 -119.32 -10.84 9.64 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.418 -0.801 . . . . 0.0 110.203 -179.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.562 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -119.2 81.46 0.33 Allowed Glycine 0 N--CA 1.483 1.794 0 N-CA-C 108.917 -1.673 . . . . 0.0 108.917 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.499 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 3.7 m170 -77.84 160.49 28.28 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.396 -1.061 . . . . 0.0 111.076 -178.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -120.84 -76.31 0.58 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.568 -0.707 . . . . 0.0 110.075 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.621 ' HG2' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -176.61 111.59 0.09 Allowed 'General case' 0 C--N 1.305 -1.33 0 CA-C-O 122.146 0.974 . . . . 0.0 108.705 179.561 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.489 1.509 0 O-C-N 121.266 -0.896 . . . . 0.0 110.504 -178.504 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.729 0 CA-C-O 121.336 0.589 . . . . 0.0 110.057 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.53 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 19.4 t -118.14 9.82 6.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 CA-C-O 121.87 0.843 . . . . 0.0 110.377 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.555 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 1.3 p -65.35 169.96 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 CA-C-O 121.663 0.744 . . . . 0.0 110.434 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.575 ' HG2' ' CH2' ' A' ' 7' ' ' TRP . 18.8 mt-30 47.16 91.7 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.579 0 CA-C-O 121.871 0.843 . . . . 0.0 110.869 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.531 ' O ' ' NE2' ' A' ' 9' ' ' HIS . 0.7 OUTLIER -75.66 -16.06 60.24 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-O 121.756 0.789 . . . . 0.0 109.354 178.883 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.604 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 3.5 p-90 -116.87 -13.69 10.69 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 121.723 0.773 . . . . 0.0 109.638 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.604 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -109.3 73.56 0.2 Allowed Glycine 0 N--CA 1.481 1.688 0 N-CA-C 108.799 -1.72 . . . . 0.0 108.799 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.531 ' NE2' ' O ' ' A' ' 6' ' ' ASP . 2.0 m170 -78.29 134.6 37.49 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.47 -1.018 . . . . 0.0 110.475 -179.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.519 ' C ' ' HG3' ' A' ' 11' ' ' ARG . 33.5 m170 -113.02 -109.43 0.36 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.414 -0.804 . . . . 0.0 109.384 179.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.519 ' HG3' ' C ' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -153.02 80.31 1.2 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.832 -1.167 . . . . 0.0 109.479 179.149 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.4 m . . . . . 0 N--CA 1.492 1.66 0 O-C-N 121.092 -1.005 . . . . 0.0 110.166 -179.922 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.445 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 25.2 p . . . . . 0 N--CA 1.489 1.518 0 CA-C-O 121.65 0.738 . . . . 0.0 110.506 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.51 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 1.0 OUTLIER -136.75 5.57 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 CA-C-O 121.681 0.753 . . . . 0.0 110.014 179.705 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -65.82 158.04 5.12 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.052 0 CA-C-O 121.871 0.843 . . . . 0.0 110.069 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.578 ' O ' ' CD2' ' A' ' 9' ' ' HIS . 44.9 mt-30 51.79 97.98 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.766 0 CA-C-O 121.793 0.806 . . . . 0.0 110.567 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.07 -21.48 54.34 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-O 121.821 0.819 . . . . 0.0 109.809 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.656 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 4.2 p-90 -111.26 -16.94 13.29 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 121.667 0.746 . . . . 0.0 109.68 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.656 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -106.87 68.32 0.23 Allowed Glycine 0 N--CA 1.487 2.042 0 N-CA-C 109.341 -1.503 . . . . 0.0 109.341 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.578 ' CD2' ' O ' ' A' ' 5' ' ' GLN . 8.6 m-70 -92.14 148.16 22.38 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.437 -1.037 . . . . 0.0 110.895 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.416 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -112.51 -76.4 0.59 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.197 -0.939 . . . . 0.0 109.912 179.877 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.416 ' HB3' ' O ' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -179.55 89.22 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.508 -0.745 . . . . 0.0 110.197 -179.673 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.2 m . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.121 -0.987 . . . . 0.0 109.761 179.812 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.465 ' O ' ' CG2' ' A' ' 3' ' ' VAL . 25.1 p . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.566 0.698 . . . . 0.0 109.997 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.546 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 50.8 t -156.15 15.26 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 CA-C-O 121.763 0.792 . . . . 0.0 110.738 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.545 HG23 ' CG ' ' A' ' 5' ' ' GLN . 2.6 p -57.75 172.67 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.08 0 O-C-N 121.511 -0.743 . . . . 0.0 109.709 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.591 ' OE1' ' CZ3' ' A' ' 7' ' ' TRP . 11.7 mt-30 53.15 94.69 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.391 -0.818 . . . . 0.0 109.737 -178.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -21.15 64.2 Favored 'General case' 0 C--N 1.295 -1.765 0 CA-C-O 121.672 0.749 . . . . 0.0 109.942 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.638 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 4.0 p-90 -113.41 -12.7 12.94 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 121.58 0.705 . . . . 0.0 109.756 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.638 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -104.19 71.32 0.26 Allowed Glycine 0 N--CA 1.485 1.96 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 -179.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 62.2 m170 -78.84 139.99 38.26 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.49 -1.006 . . . . 0.0 110.331 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -98.66 -80.66 0.46 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.255 -0.903 . . . . 0.0 109.994 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -171.4 50.3 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.3 -0.875 . . . . 0.0 110.437 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.431 ' SG ' ' O ' ' A' ' 2' ' ' CYS . 87.2 m . . . . . 0 N--CA 1.489 1.478 0 O-C-N 121.216 -0.928 . . . . 0.0 110.21 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.497 1.925 0 CA-C-O 121.37 0.605 . . . . 0.0 109.807 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.571 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 4.0 t -123.98 14.42 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 CA-C-O 121.904 0.859 . . . . 0.0 109.746 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.483 ' O ' ' O ' ' A' ' 3' ' ' VAL . 0.7 OUTLIER -39.35 162.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.291 -1.949 0 CA-C-O 121.709 0.766 . . . . 0.0 110.493 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.519 ' O ' ' CD2' ' A' ' 9' ' ' HIS . 76.5 mt-30 58.67 103.61 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 121.719 0.771 . . . . 0.0 109.564 -179.175 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -73.95 -22.42 59.66 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-O 121.417 0.627 . . . . 0.0 110.784 -179.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.663 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 6.2 p-90 -115.58 -15.94 11.37 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.39 -0.819 . . . . 0.0 110.691 -178.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.663 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -129.43 75.86 0.42 Allowed Glycine 0 N--CA 1.488 2.12 0 C-N-CA 119.725 -1.226 . . . . 0.0 110.208 -178.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.519 ' CD2' ' O ' ' A' ' 5' ' ' GLN . 15.9 m80 -79.67 168.28 19.56 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.121 -1.223 . . . . 0.0 109.379 179.273 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.452 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 6.7 m170 -107.05 -90.82 0.42 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.066 -1.021 . . . . 0.0 110.41 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.452 ' HB3' ' O ' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -178.32 60.85 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.214 -0.929 . . . . 0.0 110.039 -179.785 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.492 1.671 0 O-C-N 121.292 -0.88 . . . . 0.0 110.501 -179.707 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.442 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 1.8 p . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.385 0.612 . . . . 0.0 110.167 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.48 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 54.4 t -128.13 13.15 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 CA-C-O 121.931 0.872 . . . . 0.0 109.951 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.566 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 1.3 p -59.64 169.58 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.926 0 CA-C-O 121.839 0.828 . . . . 0.0 111.106 -179.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.566 ' N ' ' CG2' ' A' ' 4' ' ' VAL . 3.5 mt-30 37.89 90.38 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 CA-C-O 121.908 0.861 . . . . 0.0 110.999 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.585 ' OD1' ' CD1' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -45.34 -39.71 7.06 Favored 'General case' 0 N--CA 1.501 2.1 0 CA-C-O 121.53 0.681 . . . . 0.0 110.105 179.619 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.634 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 4.1 p-90 -113.67 -12.32 12.83 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.559 -0.713 . . . . 0.0 110.614 -179.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.634 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -93.87 64.1 1.79 Allowed Glycine 0 N--CA 1.485 1.957 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 -179.236 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -78.56 164.13 24.95 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.41 -1.053 . . . . 0.0 109.82 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.498 ' HB3' ' HD3' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -130.54 -82.53 0.54 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.126 -0.984 . . . . 0.0 111.326 -179.059 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.665 ' HG2' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -171.49 45.28 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.09 -1.006 . . . . 0.0 111.394 -179.085 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 79.9 m . . . . . 0 N--CA 1.494 1.766 0 O-C-N 120.411 -1.431 . . . . 0.0 110.692 179.321 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.421 ' O ' HG21 ' A' ' 3' ' ' VAL . 10.7 p . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.356 0.598 . . . . 0.0 110.15 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.52 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 42.2 t -139.44 10.86 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 CA-C-O 121.863 0.84 . . . . 0.0 110.556 -179.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.541 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 1.4 p -62.16 169.94 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.941 0 CA-C-O 121.587 0.708 . . . . 0.0 110.434 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.541 ' N ' ' CG2' ' A' ' 4' ' ' VAL . 14.6 mt-30 43.69 94.28 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 122.164 0.983 . . . . 0.0 109.768 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -75.11 -23.0 57.86 Favored 'General case' 0 C--N 1.289 -2.043 0 CA-C-O 121.464 0.649 . . . . 0.0 110.812 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.571 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 4.0 p-90 -106.18 -7.39 17.91 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.369 -0.832 . . . . 0.0 110.771 -179.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.571 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -147.92 93.21 0.15 Allowed Glycine 0 N--CA 1.481 1.691 0 C-N-CA 119.495 -1.336 . . . . 0.0 110.56 -178.576 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.447 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 26.0 m170 -78.39 167.17 21.74 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.395 -1.062 . . . . 0.0 109.683 179.213 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.495 ' HB3' ' HD2' ' A' ' 11' ' ' ARG . 3.3 m170 -110.43 -95.36 0.42 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.087 -1.008 . . . . 0.0 110.53 -179.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.598 ' HG2' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -158.53 93.69 1.22 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.994 -1.066 . . . . 0.0 110.03 179.54 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 91.2 m . . . . . 0 N--CA 1.491 1.585 0 O-C-N 120.971 -1.08 . . . . 0.0 110.402 -179.431 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.486 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 22.5 p . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.594 0.712 . . . . 0.0 110.451 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.404 ' CG2' ' C ' ' A' ' 2' ' ' CYS . 17.6 t -148.65 13.55 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 120.999 -1.063 . . . . 0.0 110.639 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.509 ' CG2' ' OE1' ' A' ' 5' ' ' GLN . 0.9 OUTLIER -52.8 161.85 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.968 0 CA-C-O 121.608 0.718 . . . . 0.0 110.263 -179.732 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.596 ' O ' ' CD2' ' A' ' 9' ' ' HIS . 0.3 OUTLIER 41.4 96.95 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 121.954 0.883 . . . . 0.0 110.432 -179.833 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.404 ' O ' ' NE2' ' A' ' 9' ' ' HIS . 13.9 m-20 -56.15 -28.46 58.08 Favored 'General case' 0 C--N 1.288 -2.094 0 CA-C-O 121.401 0.619 . . . . 0.0 110.064 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.63 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 4.8 p-90 -115.98 -13.27 11.27 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.327 -0.858 . . . . 0.0 110.622 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.63 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -114.79 70.15 0.25 Allowed Glycine 0 N--CA 1.489 2.188 0 C-N-CA 119.971 -1.109 . . . . 0.0 110.36 -178.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 5' ' ' GLN . 19.8 m170 -79.8 167.54 20.45 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.127 -1.219 . . . . 0.0 109.596 179.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.437 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 1.6 t-80 -114.92 -43.49 3.11 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.066 -1.022 . . . . 0.0 110.419 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.437 ' HB3' ' O ' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -179.34 78.56 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.331 -0.856 . . . . 0.0 110.568 -179.885 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.4 m . . . . . 0 N--CA 1.488 1.439 0 O-C-N 121.312 -0.868 . . . . 0.0 110.07 179.837 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.413 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 24.8 p . . . . . 0 N--CA 1.494 1.729 0 CA-C-O 121.292 0.568 . . . . 0.0 111.255 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.534 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 38.6 t -149.11 10.15 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.404 -0.81 . . . . 0.0 110.843 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.552 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 0.7 OUTLIER -56.19 170.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.893 0 O-C-N 121.477 -0.764 . . . . 0.0 110.006 179.742 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.552 ' N ' ' CG2' ' A' ' 4' ' ' VAL . 77.0 mt-30 48.36 98.39 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 121.897 0.856 . . . . 0.0 109.933 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.517 ' O ' ' NE2' ' A' ' 9' ' ' HIS . 4.8 m-20 -75.15 -23.25 57.77 Favored 'General case' 0 C--N 1.289 -2.054 0 CA-C-O 121.329 0.585 . . . . 0.0 110.531 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.657 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 5.9 p-90 -112.78 -15.93 12.85 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.403 -0.81 . . . . 0.0 110.354 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.657 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -116.01 73.21 0.26 Allowed Glycine 0 N--CA 1.487 2.094 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 -179.185 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.517 ' NE2' ' O ' ' A' ' 6' ' ' ASP . 16.1 m170 -79.55 175.32 10.72 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.329 -1.1 . . . . 0.0 110.195 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.03 -86.99 0.38 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.177 -0.952 . . . . 0.0 109.977 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.527 ' O ' ' CG ' ' A' ' 11' ' ' ARG . 1.0 OUTLIER -159.88 94.48 1.13 Allowed 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.063 -1.023 . . . . 0.0 109.267 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.494 1.728 0 O-C-N 121.043 -1.035 . . . . 0.0 110.514 -179.308 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.0 p . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 121.418 0.628 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.509 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 42.9 t -129.92 8.5 2.32 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 121.444 -0.785 . . . . 0.0 110.293 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.467 HG23 ' HG3' ' A' ' 5' ' ' GLN . 1.3 p -60.26 164.77 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.928 0 C-N-CA 119.935 -0.706 . . . . 0.0 109.77 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.467 ' HG3' HG23 ' A' ' 4' ' ' VAL . 26.8 mt-30 46.0 95.47 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.619 0 CA-C-O 121.746 0.784 . . . . 0.0 109.665 -179.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.11 -21.23 30.61 Favored 'General case' 0 C--N 1.291 -1.959 0 CA-C-O 121.76 0.791 . . . . 0.0 109.909 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.648 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 5.7 p-90 -117.13 -16.46 10.42 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 121.538 0.685 . . . . 0.0 109.924 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.648 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -78.38 52.78 3.83 Favored Glycine 0 N--CA 1.488 2.102 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -179.575 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -85.85 106.3 16.97 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.284 -1.127 . . . . 0.0 109.654 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -110.14 -46.02 3.51 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.205 -0.934 . . . . 0.0 111.282 -179.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.589 ' HG2' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -165.78 100.71 0.67 Allowed 'General case' 0 C--N 1.303 -1.418 0 O-C-N 120.944 -1.097 . . . . 0.0 109.964 -179.087 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.3 -1.577 0 O-C-N 121.015 -1.053 . . . . 0.0 109.902 179.442 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 121.364 0.602 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.536 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 23.1 t -134.92 10.97 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 CA-C-O 121.893 0.854 . . . . 0.0 109.876 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.532 HG23 ' N ' ' A' ' 5' ' ' GLN . 2.3 p -57.51 172.81 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.948 0 O-C-N 121.741 -0.599 . . . . 0.0 109.669 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.532 ' N ' HG23 ' A' ' 4' ' ' VAL . 41.1 mt-30 52.31 93.67 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.314 -0.866 . . . . 0.0 108.939 -178.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -72.8 -22.27 60.85 Favored 'General case' 0 C--N 1.289 -2.044 0 CA-C-O 121.4 0.619 . . . . 0.0 110.42 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.677 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 5.9 p-90 -118.05 -13.95 9.97 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.528 -0.732 . . . . 0.0 110.777 -179.076 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.677 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -121.84 72.94 0.37 Allowed Glycine 0 N--CA 1.489 2.191 0 N-CA-C 110.149 -1.18 . . . . 0.0 110.149 -178.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.499 ' CD2' ' O ' ' A' ' 5' ' ' GLN . 29.0 m-70 -84.26 -173.14 4.55 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.213 -1.169 . . . . 0.0 109.946 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -140.22 -80.24 0.28 Allowed 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.339 -0.851 . . . . 0.0 110.159 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.2 ptt-85 -162.8 77.02 0.45 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.279 -0.888 . . . . 0.0 110.232 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.9 m . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.287 -0.883 . . . . 0.0 109.99 179.599 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.752 0 CA-C-O 121.357 0.598 . . . . 0.0 109.66 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.54 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 9.1 t -115.79 8.25 7.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 CA-C-O 121.872 0.844 . . . . 0.0 110.197 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.478 ' O ' ' O ' ' A' ' 5' ' ' GLN . 0.2 OUTLIER -55.25 151.26 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.123 0 C-N-CA 119.598 -0.841 . . . . 0.0 109.8 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.587 ' HG3' ' CZ2' ' A' ' 7' ' ' TRP . 0.8 OUTLIER 39.48 93.69 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 122.081 0.943 . . . . 0.0 109.97 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.02 -44.06 97.97 Favored 'General case' 0 C--N 1.291 -1.978 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.71 -179.447 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.656 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 5.7 p-90 -79.69 -15.85 56.78 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.448 -0.782 . . . . 0.0 110.015 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.656 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -115.24 70.39 0.26 Allowed Glycine 0 N--CA 1.486 2.009 0 N-CA-C 109.972 -1.251 . . . . 0.0 109.972 -179.288 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -96.32 162.0 13.69 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.332 -1.099 . . . . 0.0 109.905 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.463 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 72.7 m-70 -109.3 -84.44 0.55 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.127 -0.983 . . . . 0.0 110.057 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.463 ' HB3' ' O ' ' A' ' 10' ' ' HIS . 17.0 ptt85 179.44 66.06 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.26 -0.9 . . . . 0.0 109.785 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 68.0 m . . . . . 0 N--CA 1.49 1.541 0 O-C-N 121.28 -0.887 . . . . 0.0 110.401 -179.801 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.446 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 11.7 p . . . . . 0 N--CA 1.493 1.676 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.469 ' O ' ' O ' ' A' ' 4' ' ' VAL . 90.2 t -148.01 16.41 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.289 -0.882 . . . . 0.0 110.377 -179.486 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.54 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 1.0 OUTLIER -43.21 169.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.29 -2.0 0 CA-C-O 121.653 0.74 . . . . 0.0 110.478 179.858 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.54 ' N ' ' CG2' ' A' ' 4' ' ' VAL . 12.4 mt-30 49.98 95.89 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.825 0.821 . . . . 0.0 110.077 -179.603 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -80.79 -20.92 41.5 Favored 'General case' 0 C--N 1.293 -1.872 0 CA-C-O 121.762 0.791 . . . . 0.0 109.733 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -101.55 -13.15 18.0 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-O 121.631 0.729 . . . . 0.0 109.34 179.502 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.406 ' O ' ' HB3' ' A' ' 5' ' ' GLN . . . -139.42 83.22 0.24 Allowed Glycine 0 N--CA 1.48 1.607 0 N-CA-C 109.842 -1.303 . . . . 0.0 109.842 -179.292 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.427 ' CD2' ' O ' ' A' ' 5' ' ' GLN . 21.8 m170 -79.95 139.72 36.94 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.236 -1.155 . . . . 0.0 110.546 -179.917 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.452 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -83.59 -80.28 0.19 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.292 -0.88 . . . . 0.0 110.327 -179.847 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.452 ' HB3' ' O ' ' A' ' 10' ' ' HIS . 10.5 ptt85 177.92 69.43 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.208 -0.933 . . . . 0.0 110.562 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.446 ' SG ' ' O ' ' A' ' 2' ' ' CYS . 6.9 m . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.186 -0.946 . . . . 0.0 110.023 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 13.7 tt . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.381 0.61 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.4 ' O ' HG21 ' A' ' 3' ' ' VAL . 0.8 OUTLIER -170.61 113.03 0.42 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.346 -0.846 . . . . 0.0 110.051 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.538 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 25.2 t -141.74 9.76 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.341 -0.85 . . . . 0.0 110.396 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.486 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 0.9 OUTLIER -67.18 164.81 2.18 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.034 0 CA-C-O 121.618 0.723 . . . . 0.0 109.949 179.927 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.524 ' HG2' ' CZ2' ' A' ' 7' ' ' TRP . 6.7 mt-30 47.93 95.84 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.682 0 CA-C-O 121.97 0.891 . . . . 0.0 109.969 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -76.76 -40.91 46.81 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-O 121.533 0.682 . . . . 0.0 110.571 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.656 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 6.8 p-90 -78.73 -14.89 59.05 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.223 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.656 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -136.63 82.9 0.27 Allowed Glycine 0 N--CA 1.487 2.073 0 N-CA-C 110.046 -1.221 . . . . 0.0 110.046 -179.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -83.13 -175.83 6.03 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.369 -1.077 . . . . 0.0 109.489 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.451 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 37.9 m-70 -125.73 -82.77 0.63 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.065 -1.022 . . . . 0.0 110.291 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.534 ' CG ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -178.14 74.98 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.969 -1.082 . . . . 0.0 110.059 179.689 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 87.8 m -69.67 -125.25 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.198 -0.938 . . . . 0.0 110.074 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.55 -169.27 1.55 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.864 -1.147 . . . . 0.0 110.202 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.316 0 O-C-N 119.849 -1.782 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 43.0 mt . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.395 0.616 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -152.83 109.98 3.51 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.438 -0.789 . . . . 0.0 110.064 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.478 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 50.2 t -132.55 9.83 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 CA-C-O 121.777 0.799 . . . . 0.0 109.84 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.563 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 1.3 p -55.41 170.57 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.293 -1.891 0 CA-C-O 121.513 0.673 . . . . 0.0 110.073 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.563 ' N ' ' CG2' ' A' ' 4' ' ' VAL . 19.7 mt-30 48.36 96.38 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.634 0 CA-C-O 121.694 0.759 . . . . 0.0 109.645 -179.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.5 -22.95 66.78 Favored 'General case' 0 C--N 1.292 -1.907 0 CA-C-O 121.514 0.673 . . . . 0.0 110.039 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.52 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 4.5 p-90 -112.59 -19.03 12.24 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.618 -0.676 . . . . 0.0 109.936 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.52 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -92.87 58.29 2.5 Favored Glycine 0 N--CA 1.485 1.91 0 N-CA-C 109.753 -1.339 . . . . 0.0 109.753 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 57.5 m170 -79.8 127.7 32.54 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.127 -1.219 . . . . 0.0 110.593 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.47 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 90.8 m-70 -100.74 -92.47 0.3 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.261 -0.899 . . . . 0.0 110.221 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.473 ' CG ' ' O ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -179.42 82.84 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.271 -0.893 . . . . 0.0 109.923 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 92.6 m -69.79 -18.12 63.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.193 -0.942 . . . . 0.0 110.198 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 86.5 m -142.87 69.29 1.31 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.278 -0.889 . . . . 0.0 110.093 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.308 0 O-C-N 119.785 -1.822 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.3 p -105.26 115.2 29.86 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.222 -0.924 . . . . 0.0 110.072 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.525 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 1.2 t -124.3 10.11 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.449 -0.782 . . . . 0.0 110.188 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.502 ' O ' ' O ' ' A' ' 5' ' ' GLN . 0.1 OUTLIER -33.93 150.64 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 CA-C-O 121.488 0.661 . . . . 0.0 110.453 -179.653 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.538 ' CB ' ' HA3' ' A' ' 8' ' ' GLY . 92.2 mt-30 42.56 97.91 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.575 0 CA-C-O 122.269 1.033 . . . . 0.0 109.49 -178.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 5' ' ' GLN . 0.7 OUTLIER -42.12 -28.5 0.19 Allowed 'General case' 0 C--N 1.294 -1.839 0 CA-C-O 121.549 0.69 . . . . 0.0 109.813 -179.606 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.638 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 5.2 p-90 -121.66 -13.59 8.31 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-O 121.544 0.688 . . . . 0.0 110.156 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.638 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -81.06 56.68 4.85 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 -179.239 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -79.66 95.0 5.8 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.264 -1.139 . . . . 0.0 109.372 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -91.86 -57.71 2.65 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.292 -0.88 . . . . 0.0 111.949 -178.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.426 ' CG ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -143.65 85.47 1.83 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.028 -1.045 . . . . 0.0 111.192 -178.841 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 m -132.89 156.54 47.03 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.531 -0.731 . . . . 0.0 110.094 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.6 t -101.59 -7.52 22.67 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.063 -1.023 . . . . 0.0 110.11 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.387 0 O-C-N 119.949 -1.719 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.124 0.488 . . . . 0.0 110.155 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.45 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 26.7 p -93.09 112.98 25.11 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.084 -1.01 . . . . 0.0 110.047 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.535 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 41.1 t -147.18 11.79 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 CA-C-O 121.814 0.816 . . . . 0.0 110.383 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.478 ' O ' ' C ' ' A' ' 5' ' ' GLN . 6.3 p -81.49 -176.87 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.289 -2.053 0 O-C-N 121.699 -0.626 . . . . 0.0 109.42 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.591 ' HG3' ' CH2' ' A' ' 7' ' ' TRP . 0.5 OUTLIER 40.19 45.83 1.8 Allowed 'General case' 0 C--N 1.297 -1.715 0 CA-C-O 121.78 0.8 . . . . 0.0 109.756 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.506 ' O ' ' NE2' ' A' ' 9' ' ' HIS . 35.7 m-20 -40.42 -26.08 0.03 OUTLIER 'General case' 0 C--N 1.293 -1.877 0 O-C-N 121.632 -0.667 . . . . 0.0 110.723 -179.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.598 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 2.4 p-90 -102.36 -11.83 18.36 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.187 -0.946 . . . . 0.0 110.367 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.598 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -127.06 78.39 0.38 Allowed Glycine 0 N--CA 1.484 1.872 0 N-CA-C 110.013 -1.235 . . . . 0.0 110.013 -179.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.506 ' NE2' ' O ' ' A' ' 6' ' ' ASP . 45.0 m170 -77.68 158.63 29.6 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.174 -1.192 . . . . 0.0 110.382 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -117.2 -69.43 0.85 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.277 -0.889 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -179.1 89.13 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.509 -0.745 . . . . 0.0 110.111 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.1 m -83.53 -91.18 0.08 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.309 -0.869 . . . . 0.0 110.251 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -160.41 127.78 4.43 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.292 -0.88 . . . . 0.0 109.763 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.449 0 O-C-N 119.91 -1.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.528 ' O ' ' CD1' ' A' ' 1' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.128 0.49 . . . . 0.0 110.201 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.473 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 8.4 p -84.26 127.55 34.02 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.062 -1.024 . . . . 0.0 109.982 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.426 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 94.4 t -150.12 14.79 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.138 -0.976 . . . . 0.0 110.302 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.554 HG21 ' N ' ' A' ' 5' ' ' GLN . 0.6 OUTLIER -59.2 154.83 3.08 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.001 0 CA-C-O 121.651 0.739 . . . . 0.0 110.039 -179.828 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.594 ' OE1' ' CZ3' ' A' ' 7' ' ' TRP . 2.7 mt-30 48.45 95.8 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 121.805 0.812 . . . . 0.0 110.014 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.407 ' O ' ' NE2' ' A' ' 9' ' ' HIS . 6.8 m-20 -61.47 -21.4 64.14 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-O 121.52 0.676 . . . . 0.0 109.763 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.62 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 6.4 p-90 -118.97 -15.42 9.31 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.559 0.695 . . . . 0.0 110.295 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.62 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -92.59 65.61 2.07 Favored Glycine 0 N--CA 1.486 2.01 0 N-CA-C 109.807 -1.317 . . . . 0.0 109.807 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.407 ' NE2' ' O ' ' A' ' 6' ' ' ASP . 15.0 m170 -79.09 126.57 30.88 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.465 -1.021 . . . . 0.0 110.489 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.472 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -98.07 -74.84 0.57 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.413 -0.804 . . . . 0.0 110.606 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.472 ' HB3' ' O ' ' A' ' 10' ' ' HIS . 0.1 OUTLIER -178.39 65.62 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.106 -0.996 . . . . 0.0 111.041 -179.701 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 m -73.24 -77.22 0.11 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.98 -1.075 . . . . 0.0 110.457 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.86 139.6 30.92 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.436 -0.79 . . . . 0.0 109.779 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.366 0 O-C-N 119.885 -1.759 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.468 ' CD1' ' C ' ' A' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.727 0 CA-C-O 121.328 0.585 . . . . 0.0 109.93 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.9 m -140.19 114.73 9.35 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.294 -0.879 . . . . 0.0 110.143 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 36.6 t -110.42 9.13 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.257 -0.902 . . . . 0.0 110.657 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.549 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 1.9 p -97.96 171.6 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.293 -1.885 0 CA-C-O 121.465 0.65 . . . . 0.0 110.023 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.564 ' HG3' ' CH2' ' A' ' 7' ' ' TRP . 0.0 OUTLIER 64.69 35.59 8.8 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-O 121.913 0.863 . . . . 0.0 109.638 179.619 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -43.52 -30.47 0.58 Allowed 'General case' 0 C--N 1.293 -1.876 0 CA-C-O 121.476 0.655 . . . . 0.0 110.105 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.62 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 3.3 p-90 -94.89 -13.99 24.94 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.467 -0.771 . . . . 0.0 110.017 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.62 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -125.97 77.34 0.39 Allowed Glycine 0 N--CA 1.482 1.754 0 N-CA-C 108.971 -1.651 . . . . 0.0 108.971 -179.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -77.45 166.41 23.14 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.162 -1.199 . . . . 0.0 110.78 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.401 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 85.9 m-70 -132.76 -92.99 0.36 Allowed 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.712 -0.617 . . . . 0.0 109.65 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.401 ' HB3' ' O ' ' A' ' 10' ' ' HIS . 1.3 ptt85 -176.28 54.57 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.153 -0.967 . . . . 0.0 110.143 179.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 67.7 m -79.51 4.47 15.63 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.278 -0.889 . . . . 0.0 110.07 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.7 m -161.99 119.28 2.15 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.291 -0.881 . . . . 0.0 110.204 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 119.831 -1.793 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.469 ' O ' HD11 ' A' ' 1' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.37 0.605 . . . . 0.0 109.877 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.481 ' O ' HG21 ' A' ' 3' ' ' VAL . 15.7 p -71.27 110.57 5.99 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.146 -0.971 . . . . 0.0 110.116 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.515 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 55.5 t -142.62 11.34 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.29 -0.881 . . . . 0.0 110.671 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.495 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 0.7 OUTLIER -56.64 165.43 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.289 -2.034 0 CA-C-O 121.644 0.735 . . . . 0.0 110.419 -179.752 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.495 ' N ' ' CG2' ' A' ' 4' ' ' VAL . 40.8 mt-30 43.6 97.71 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 122.015 0.912 . . . . 0.0 110.101 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.31 -42.81 92.65 Favored 'General case' 0 C--N 1.292 -1.897 0 CA-C-O 121.572 0.701 . . . . 0.0 110.112 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.587 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 8.6 p-90 -93.16 -16.3 25.02 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-O 121.577 0.703 . . . . 0.0 109.902 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.587 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -114.26 71.55 0.24 Allowed Glycine 0 N--CA 1.488 2.103 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -79.07 -176.28 5.01 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.335 -1.097 . . . . 0.0 109.85 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -124.92 -100.07 0.4 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.157 -0.965 . . . . 0.0 110.422 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -156.35 60.59 0.56 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.924 -1.11 . . . . 0.0 110.276 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 86.4 m -77.94 -96.31 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.371 -0.83 . . . . 0.0 110.076 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -147.11 3.35 0.8 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.105 -0.997 . . . . 0.0 110.632 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.484 0 O-C-N 119.776 -1.827 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.464 HG21 ' N ' ' A' ' 2' ' ' CYS . 6.9 tp . . . . . 0 N--CA 1.493 1.694 0 CA-C-O 121.361 0.6 . . . . 0.0 110.241 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.464 ' N ' HG21 ' A' ' 1' ' ' ILE . 1.6 p -68.12 112.33 5.01 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 119.326 -0.949 . . . . 0.0 110.518 -179.163 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 42.0 t -120.08 10.98 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 CA-C-O 122.041 0.924 . . . . 0.0 109.825 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.542 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 1.2 p -55.8 170.93 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 CA-C-O 121.697 0.76 . . . . 0.0 110.457 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.542 ' N ' ' CG2' ' A' ' 4' ' ' VAL . 37.7 mt-30 42.41 93.81 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.479 0 CA-C-O 121.672 0.748 . . . . 0.0 110.368 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.463 ' O ' ' NE2' ' A' ' 9' ' ' HIS . 0.1 OUTLIER -76.74 -18.6 58.38 Favored 'General case' 0 C--N 1.291 -1.952 0 CA-C-O 121.793 0.806 . . . . 0.0 109.697 179.55 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 2.1 p-90 -112.66 -12.98 13.33 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-O 121.598 0.713 . . . . 0.0 109.781 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.455 ' O ' ' HB3' ' A' ' 5' ' ' GLN . . . -125.27 77.96 0.38 Allowed Glycine 0 N--CA 1.48 1.603 0 N-CA-C 109.357 -1.497 . . . . 0.0 109.357 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.492 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 2.8 m170 -77.55 -175.84 4.0 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.223 -1.163 . . . . 0.0 109.895 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -149.35 -74.6 0.17 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.269 -0.894 . . . . 0.0 109.719 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.45 87.85 0.06 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.614 -0.679 . . . . 0.0 109.929 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.463 ' SG ' ' O ' ' A' ' 2' ' ' CYS . 23.5 m -102.74 -71.33 0.73 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.278 -0.889 . . . . 0.0 110.335 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.76 109.4 21.33 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.296 -0.878 . . . . 0.0 110.421 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.296 0 O-C-N 119.784 -1.823 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.401 ' O ' HG21 ' A' ' 1' ' ' ILE . 8.7 tt . . . . . 0 N--CA 1.494 1.765 0 CA-C-O 121.258 0.551 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 16.2 p -169.51 118.94 0.65 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.151 -0.968 . . . . 0.0 110.391 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.515 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 46.5 t -129.72 14.15 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.221 -0.924 . . . . 0.0 110.137 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.547 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 1.6 p -71.98 168.85 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.906 0 CA-C-O 121.523 0.678 . . . . 0.0 110.735 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.547 ' N ' ' CG2' ' A' ' 4' ' ' VAL . 65.0 mt-30 38.35 89.69 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.791 0.805 . . . . 0.0 110.394 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -71.23 -17.83 62.48 Favored 'General case' 0 C--N 1.287 -2.125 0 CA-C-O 121.388 0.613 . . . . 0.0 110.238 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.562 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 4.3 p-90 -119.32 -10.84 9.64 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.418 -0.801 . . . . 0.0 110.203 -179.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.562 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -119.2 81.46 0.33 Allowed Glycine 0 N--CA 1.483 1.794 0 N-CA-C 108.917 -1.673 . . . . 0.0 108.917 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.499 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 3.7 m170 -77.84 160.49 28.28 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.396 -1.061 . . . . 0.0 111.076 -178.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -120.84 -76.31 0.58 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.568 -0.707 . . . . 0.0 110.075 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.621 ' HG2' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -176.61 111.59 0.09 Allowed 'General case' 0 C--N 1.305 -1.33 0 CA-C-O 122.146 0.974 . . . . 0.0 108.705 179.561 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.7 m -133.63 -172.24 2.92 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.266 -0.896 . . . . 0.0 110.504 -178.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.5 p -114.3 -139.7 0.38 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.122 -0.987 . . . . 0.0 110.46 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 119.881 -1.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.547 ' O ' ' CG2' ' A' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.696 0.76 . . . . 0.0 110.15 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -153.99 124.88 7.23 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.149 -0.969 . . . . 0.0 110.057 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.53 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 19.4 t -118.14 9.82 6.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 CA-C-O 121.87 0.843 . . . . 0.0 110.377 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.555 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 1.3 p -65.35 169.96 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 CA-C-O 121.663 0.744 . . . . 0.0 110.434 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.575 ' HG2' ' CH2' ' A' ' 7' ' ' TRP . 18.8 mt-30 47.16 91.7 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.579 0 CA-C-O 121.871 0.843 . . . . 0.0 110.869 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.531 ' O ' ' NE2' ' A' ' 9' ' ' HIS . 0.7 OUTLIER -75.66 -16.06 60.24 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-O 121.756 0.789 . . . . 0.0 109.354 178.883 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.604 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 3.5 p-90 -116.87 -13.69 10.69 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 121.723 0.773 . . . . 0.0 109.638 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.604 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -109.3 73.56 0.2 Allowed Glycine 0 N--CA 1.481 1.688 0 N-CA-C 108.799 -1.72 . . . . 0.0 108.799 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.531 ' NE2' ' O ' ' A' ' 6' ' ' ASP . 2.0 m170 -78.29 134.6 37.49 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.47 -1.018 . . . . 0.0 110.475 -179.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.519 ' C ' ' HG3' ' A' ' 11' ' ' ARG . 33.5 m170 -113.02 -109.43 0.36 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.414 -0.804 . . . . 0.0 109.384 179.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.519 ' HG3' ' C ' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -153.02 80.31 1.2 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.832 -1.167 . . . . 0.0 109.479 179.149 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.4 m -70.4 -10.22 58.49 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.092 -1.005 . . . . 0.0 110.166 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -139.76 110.25 6.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.207 -0.933 . . . . 0.0 110.164 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 119.848 -1.782 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.466 HD12 ' O ' ' A' ' 1' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.338 0.59 . . . . 0.0 109.904 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.445 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 25.2 p -118.03 109.14 16.09 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.228 -0.92 . . . . 0.0 110.506 179.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.51 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 1.0 OUTLIER -136.75 5.57 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 CA-C-O 121.681 0.753 . . . . 0.0 110.014 179.705 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -65.82 158.04 5.12 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.052 0 CA-C-O 121.871 0.843 . . . . 0.0 110.069 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.578 ' O ' ' CD2' ' A' ' 9' ' ' HIS . 44.9 mt-30 51.79 97.98 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.766 0 CA-C-O 121.793 0.806 . . . . 0.0 110.567 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.07 -21.48 54.34 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-O 121.821 0.819 . . . . 0.0 109.809 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.656 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 4.2 p-90 -111.26 -16.94 13.29 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 121.667 0.746 . . . . 0.0 109.68 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.656 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -106.87 68.32 0.23 Allowed Glycine 0 N--CA 1.487 2.042 0 N-CA-C 109.341 -1.503 . . . . 0.0 109.341 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.578 ' CD2' ' O ' ' A' ' 5' ' ' GLN . 8.6 m-70 -92.14 148.16 22.38 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.437 -1.037 . . . . 0.0 110.895 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.416 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -112.51 -76.4 0.59 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.197 -0.939 . . . . 0.0 109.912 179.877 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.416 ' HB3' ' O ' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -179.55 89.22 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.508 -0.745 . . . . 0.0 110.197 -179.673 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.401 ' C ' HG21 ' A' ' 13' ' ' THR . 47.2 m -72.74 -94.73 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.121 -0.987 . . . . 0.0 109.761 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.401 HG21 ' C ' ' A' ' 12' ' ' CYS . 29.7 p -127.11 -14.66 5.43 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.22 -0.925 . . . . 0.0 109.69 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 119.956 -1.715 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.544 ' O ' ' CD1' ' A' ' 1' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.176 0.512 . . . . 0.0 110.111 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.465 ' O ' ' CG2' ' A' ' 3' ' ' VAL . 25.1 p -74.57 105.2 5.57 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.018 -1.051 . . . . 0.0 109.997 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.546 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 50.8 t -156.15 15.26 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 CA-C-O 121.763 0.792 . . . . 0.0 110.738 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.545 HG23 ' CG ' ' A' ' 5' ' ' GLN . 2.6 p -57.75 172.67 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.08 0 O-C-N 121.511 -0.743 . . . . 0.0 109.709 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.591 ' OE1' ' CZ3' ' A' ' 7' ' ' TRP . 11.7 mt-30 53.15 94.69 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.391 -0.818 . . . . 0.0 109.737 -178.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -21.15 64.2 Favored 'General case' 0 C--N 1.295 -1.765 0 CA-C-O 121.672 0.749 . . . . 0.0 109.942 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.638 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 4.0 p-90 -113.41 -12.7 12.94 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 121.58 0.705 . . . . 0.0 109.756 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.638 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -104.19 71.32 0.26 Allowed Glycine 0 N--CA 1.485 1.96 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 -179.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 62.2 m170 -78.84 139.99 38.26 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.49 -1.006 . . . . 0.0 110.331 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -98.66 -80.66 0.46 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.255 -0.903 . . . . 0.0 109.994 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -171.4 50.3 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.3 -0.875 . . . . 0.0 110.437 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.431 ' SG ' ' O ' ' A' ' 2' ' ' CYS . 87.2 m -88.51 -63.99 1.21 Allowed 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.216 -0.928 . . . . 0.0 110.21 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.52 11.56 16.82 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.424 -0.797 . . . . 0.0 110.317 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.383 0 O-C-N 119.824 -1.798 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.482 ' O ' HD11 ' A' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 121.274 0.559 . . . . 0.0 110.256 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -117.31 116.5 27.35 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.232 -0.917 . . . . 0.0 109.807 179.352 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.571 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 4.0 t -123.98 14.42 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 CA-C-O 121.904 0.859 . . . . 0.0 109.746 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.483 ' O ' ' O ' ' A' ' 3' ' ' VAL . 0.7 OUTLIER -39.35 162.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.291 -1.949 0 CA-C-O 121.709 0.766 . . . . 0.0 110.493 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.519 ' O ' ' CD2' ' A' ' 9' ' ' HIS . 76.5 mt-30 58.67 103.61 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 121.719 0.771 . . . . 0.0 109.564 -179.175 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -73.95 -22.42 59.66 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-O 121.417 0.627 . . . . 0.0 110.784 -179.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.663 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 6.2 p-90 -115.58 -15.94 11.37 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.39 -0.819 . . . . 0.0 110.691 -178.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.663 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -129.43 75.86 0.42 Allowed Glycine 0 N--CA 1.488 2.12 0 C-N-CA 119.725 -1.226 . . . . 0.0 110.208 -178.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.519 ' CD2' ' O ' ' A' ' 5' ' ' GLN . 15.9 m80 -79.67 168.28 19.56 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.121 -1.223 . . . . 0.0 109.379 179.273 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.452 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 6.7 m170 -107.05 -90.82 0.42 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.066 -1.021 . . . . 0.0 110.41 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.452 ' HB3' ' O ' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -178.32 60.85 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.214 -0.929 . . . . 0.0 110.039 -179.785 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.8 m -72.43 -89.39 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.292 -0.88 . . . . 0.0 110.501 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -88.41 164.66 15.4 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.32 -0.863 . . . . 0.0 110.285 -179.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.405 0 O-C-N 119.913 -1.742 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.494 ' O ' HD11 ' A' ' 1' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.22 0.533 . . . . 0.0 109.894 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.442 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 1.8 p -90.76 132.32 35.91 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.932 -1.105 . . . . 0.0 110.167 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.48 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 54.4 t -128.13 13.15 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 CA-C-O 121.931 0.872 . . . . 0.0 109.951 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.566 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 1.3 p -59.64 169.58 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.926 0 CA-C-O 121.839 0.828 . . . . 0.0 111.106 -179.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.566 ' N ' ' CG2' ' A' ' 4' ' ' VAL . 3.5 mt-30 37.89 90.38 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 CA-C-O 121.908 0.861 . . . . 0.0 110.999 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.585 ' OD1' ' CD1' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -45.34 -39.71 7.06 Favored 'General case' 0 N--CA 1.501 2.1 0 CA-C-O 121.53 0.681 . . . . 0.0 110.105 179.619 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.634 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 4.1 p-90 -113.67 -12.32 12.83 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.559 -0.713 . . . . 0.0 110.614 -179.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.634 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -93.87 64.1 1.79 Allowed Glycine 0 N--CA 1.485 1.957 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 -179.236 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -78.56 164.13 24.95 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.41 -1.053 . . . . 0.0 109.82 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.498 ' HB3' ' HD3' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -130.54 -82.53 0.54 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.126 -0.984 . . . . 0.0 111.326 -179.059 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.665 ' HG2' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -171.49 45.28 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.09 -1.006 . . . . 0.0 111.394 -179.085 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.469 ' O ' ' OG1' ' A' ' 13' ' ' THR . 79.9 m -67.7 56.09 0.06 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.411 -1.431 . . . . 0.0 110.692 179.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.487 ' N ' ' O ' ' A' ' 11' ' ' ARG . 27.4 m -167.73 -89.63 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.132 -0.98 . . . . 0.0 110.239 179.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.409 0 O-C-N 119.907 -1.746 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.452 HD11 ' O ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.334 0.588 . . . . 0.0 110.051 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.421 ' O ' HG21 ' A' ' 3' ' ' VAL . 10.7 p -121.79 118.22 28.48 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.266 -0.896 . . . . 0.0 110.15 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.52 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 42.2 t -139.44 10.86 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 CA-C-O 121.863 0.84 . . . . 0.0 110.556 -179.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.541 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 1.4 p -62.16 169.94 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.941 0 CA-C-O 121.587 0.708 . . . . 0.0 110.434 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.541 ' N ' ' CG2' ' A' ' 4' ' ' VAL . 14.6 mt-30 43.69 94.28 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 122.164 0.983 . . . . 0.0 109.768 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -75.11 -23.0 57.86 Favored 'General case' 0 C--N 1.289 -2.043 0 CA-C-O 121.464 0.649 . . . . 0.0 110.812 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.571 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 4.0 p-90 -106.18 -7.39 17.91 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.369 -0.832 . . . . 0.0 110.771 -179.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.571 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -147.92 93.21 0.15 Allowed Glycine 0 N--CA 1.481 1.691 0 C-N-CA 119.495 -1.336 . . . . 0.0 110.56 -178.576 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.447 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 26.0 m170 -78.39 167.17 21.74 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.395 -1.062 . . . . 0.0 109.683 179.213 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.495 ' HB3' ' HD2' ' A' ' 11' ' ' ARG . 3.3 m170 -110.43 -95.36 0.42 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.087 -1.008 . . . . 0.0 110.53 -179.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.598 ' HG2' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -158.53 93.69 1.22 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.994 -1.066 . . . . 0.0 110.03 179.54 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 91.2 m -86.67 -71.01 0.57 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.971 -1.08 . . . . 0.0 110.402 -179.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -155.66 87.53 1.09 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.39 -0.819 . . . . 0.0 110.281 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.405 0 O-C-N 119.835 -1.79 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.574 ' O ' ' CG2' ' A' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.67 0.748 . . . . 0.0 110.29 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.486 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 22.5 p -116.01 118.04 31.8 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.637 -1.289 . . . . 0.0 110.451 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.404 ' CG2' ' C ' ' A' ' 2' ' ' CYS . 17.6 t -148.65 13.55 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 120.999 -1.063 . . . . 0.0 110.639 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.509 ' CG2' ' OE1' ' A' ' 5' ' ' GLN . 0.9 OUTLIER -52.8 161.85 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.968 0 CA-C-O 121.608 0.718 . . . . 0.0 110.263 -179.732 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.596 ' O ' ' CD2' ' A' ' 9' ' ' HIS . 0.3 OUTLIER 41.4 96.95 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 121.954 0.883 . . . . 0.0 110.432 -179.833 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.404 ' O ' ' NE2' ' A' ' 9' ' ' HIS . 13.9 m-20 -56.15 -28.46 58.08 Favored 'General case' 0 C--N 1.288 -2.094 0 CA-C-O 121.401 0.619 . . . . 0.0 110.064 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.63 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 4.8 p-90 -115.98 -13.27 11.27 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.327 -0.858 . . . . 0.0 110.622 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.63 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -114.79 70.15 0.25 Allowed Glycine 0 N--CA 1.489 2.188 0 C-N-CA 119.971 -1.109 . . . . 0.0 110.36 -178.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 5' ' ' GLN . 19.8 m170 -79.8 167.54 20.45 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.127 -1.219 . . . . 0.0 109.596 179.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.437 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 1.6 t-80 -114.92 -43.49 3.11 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.066 -1.022 . . . . 0.0 110.419 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.437 ' HB3' ' O ' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -179.34 78.56 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.331 -0.856 . . . . 0.0 110.568 -179.885 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.4 m -112.17 150.3 31.01 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.312 -0.868 . . . . 0.0 110.07 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.61 143.82 26.58 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.247 -0.908 . . . . 0.0 110.141 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.382 0 O-C-N 119.873 -1.767 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.478 ' O ' HD11 ' A' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.328 0.585 . . . . 0.0 110.089 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.413 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 24.8 p -84.66 115.67 22.79 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.4 -0.812 . . . . 0.0 111.255 -179.482 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.534 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 38.6 t -149.11 10.15 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.404 -0.81 . . . . 0.0 110.843 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.552 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 0.7 OUTLIER -56.19 170.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.893 0 O-C-N 121.477 -0.764 . . . . 0.0 110.006 179.742 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.552 ' N ' ' CG2' ' A' ' 4' ' ' VAL . 77.0 mt-30 48.36 98.39 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 121.897 0.856 . . . . 0.0 109.933 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.517 ' O ' ' NE2' ' A' ' 9' ' ' HIS . 4.8 m-20 -75.15 -23.25 57.77 Favored 'General case' 0 C--N 1.289 -2.054 0 CA-C-O 121.329 0.585 . . . . 0.0 110.531 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.657 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 5.9 p-90 -112.78 -15.93 12.85 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.403 -0.81 . . . . 0.0 110.354 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.657 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -116.01 73.21 0.26 Allowed Glycine 0 N--CA 1.487 2.094 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 -179.185 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.517 ' NE2' ' O ' ' A' ' 6' ' ' ASP . 16.1 m170 -79.55 175.32 10.72 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.329 -1.1 . . . . 0.0 110.195 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.03 -86.99 0.38 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.177 -0.952 . . . . 0.0 109.977 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.527 ' O ' ' CG ' ' A' ' 11' ' ' ARG . 1.0 OUTLIER -159.88 94.48 1.13 Allowed 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.063 -1.023 . . . . 0.0 109.267 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.5 m -99.51 -94.36 0.25 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.043 -1.035 . . . . 0.0 110.514 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.7 m -146.62 49.96 1.14 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.131 -0.981 . . . . 0.0 110.089 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.355 0 O-C-N 119.887 -1.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.485 HG21 ' N ' ' A' ' 2' ' ' CYS . 1.3 tt . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 121.198 0.523 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.485 ' N ' HG21 ' A' ' 1' ' ' ILE . 7.0 p -69.45 108.02 3.59 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.279 -0.888 . . . . 0.0 110.371 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.509 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 42.9 t -129.92 8.5 2.32 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 121.444 -0.785 . . . . 0.0 110.293 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.467 HG23 ' HG3' ' A' ' 5' ' ' GLN . 1.3 p -60.26 164.77 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.928 0 C-N-CA 119.935 -0.706 . . . . 0.0 109.77 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.467 ' HG3' HG23 ' A' ' 4' ' ' VAL . 26.8 mt-30 46.0 95.47 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.619 0 CA-C-O 121.746 0.784 . . . . 0.0 109.665 -179.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.11 -21.23 30.61 Favored 'General case' 0 C--N 1.291 -1.959 0 CA-C-O 121.76 0.791 . . . . 0.0 109.909 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.648 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 5.7 p-90 -117.13 -16.46 10.42 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 121.538 0.685 . . . . 0.0 109.924 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.648 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -78.38 52.78 3.83 Favored Glycine 0 N--CA 1.488 2.102 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -179.575 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -85.85 106.3 16.97 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.284 -1.127 . . . . 0.0 109.654 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -110.14 -46.02 3.51 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.205 -0.934 . . . . 0.0 111.282 -179.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.589 ' HG2' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -165.78 100.71 0.67 Allowed 'General case' 0 C--N 1.303 -1.418 0 O-C-N 120.944 -1.097 . . . . 0.0 109.964 -179.087 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 m -125.9 -95.6 0.45 Allowed 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.015 -1.053 . . . . 0.0 109.902 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 t -133.66 166.88 21.59 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.039 -1.038 . . . . 0.0 110.025 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 119.839 -1.788 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.5 tt . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.44 0.638 . . . . 0.0 109.845 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.6 p -129.57 113.59 15.02 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.265 -0.897 . . . . 0.0 110.304 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.536 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 23.1 t -134.92 10.97 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 CA-C-O 121.893 0.854 . . . . 0.0 109.876 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.532 HG23 ' N ' ' A' ' 5' ' ' GLN . 2.3 p -57.51 172.81 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.948 0 O-C-N 121.741 -0.599 . . . . 0.0 109.669 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.532 ' N ' HG23 ' A' ' 4' ' ' VAL . 41.1 mt-30 52.31 93.67 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.314 -0.866 . . . . 0.0 108.939 -178.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -72.8 -22.27 60.85 Favored 'General case' 0 C--N 1.289 -2.044 0 CA-C-O 121.4 0.619 . . . . 0.0 110.42 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.677 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 5.9 p-90 -118.05 -13.95 9.97 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.528 -0.732 . . . . 0.0 110.777 -179.076 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.677 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -121.84 72.94 0.37 Allowed Glycine 0 N--CA 1.489 2.191 0 N-CA-C 110.149 -1.18 . . . . 0.0 110.149 -178.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.499 ' CD2' ' O ' ' A' ' 5' ' ' GLN . 29.0 m-70 -84.26 -173.14 4.55 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.213 -1.169 . . . . 0.0 109.946 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -140.22 -80.24 0.28 Allowed 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.339 -0.851 . . . . 0.0 110.159 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.2 ptt-85 -162.8 77.02 0.45 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.279 -0.888 . . . . 0.0 110.232 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.9 m -99.62 -84.02 0.42 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.287 -0.883 . . . . 0.0 109.99 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.428 HG21 ' O ' ' A' ' 13' ' ' THR . 91.5 m -125.39 61.15 1.22 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.272 -0.893 . . . . 0.0 110.462 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.404 0 O-C-N 119.867 -1.77 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 4.3 tt . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.326 0.584 . . . . 0.0 110.106 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.73 111.14 16.36 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.339 -0.851 . . . . 0.0 109.66 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.54 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 9.1 t -115.79 8.25 7.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 CA-C-O 121.872 0.844 . . . . 0.0 110.197 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.478 ' O ' ' O ' ' A' ' 5' ' ' GLN . 0.2 OUTLIER -55.25 151.26 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.123 0 C-N-CA 119.598 -0.841 . . . . 0.0 109.8 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.587 ' HG3' ' CZ2' ' A' ' 7' ' ' TRP . 0.8 OUTLIER 39.48 93.69 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 122.081 0.943 . . . . 0.0 109.97 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.02 -44.06 97.97 Favored 'General case' 0 C--N 1.291 -1.978 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.71 -179.447 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.656 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 5.7 p-90 -79.69 -15.85 56.78 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.448 -0.782 . . . . 0.0 110.015 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.656 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -115.24 70.39 0.26 Allowed Glycine 0 N--CA 1.486 2.009 0 N-CA-C 109.972 -1.251 . . . . 0.0 109.972 -179.288 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -96.32 162.0 13.69 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.332 -1.099 . . . . 0.0 109.905 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.463 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 72.7 m-70 -109.3 -84.44 0.55 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.127 -0.983 . . . . 0.0 110.057 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.463 ' HB3' ' O ' ' A' ' 10' ' ' HIS . 17.0 ptt85 179.44 66.06 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.26 -0.9 . . . . 0.0 109.785 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 68.0 m -72.28 -172.78 0.97 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.28 -0.887 . . . . 0.0 110.401 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.5 m -99.57 38.54 1.42 Allowed 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.391 -0.818 . . . . 0.0 109.984 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.277 0 O-C-N 119.872 -1.768 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.539 ' O ' ' CD1' ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 121.513 0.673 . . . . 0.0 109.935 . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.446 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 11.7 p -135.08 119.4 17.82 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.251 -0.906 . . . . 0.0 109.554 179.32 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.469 ' O ' ' O ' ' A' ' 4' ' ' VAL . 90.2 t -148.01 16.41 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.289 -0.882 . . . . 0.0 110.377 -179.486 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.54 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 1.0 OUTLIER -43.21 169.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.29 -2.0 0 CA-C-O 121.653 0.74 . . . . 0.0 110.478 179.858 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.54 ' N ' ' CG2' ' A' ' 4' ' ' VAL . 12.4 mt-30 49.98 95.89 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.825 0.821 . . . . 0.0 110.077 -179.603 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -80.79 -20.92 41.5 Favored 'General case' 0 C--N 1.293 -1.872 0 CA-C-O 121.762 0.791 . . . . 0.0 109.733 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -101.55 -13.15 18.0 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-O 121.631 0.729 . . . . 0.0 109.34 179.502 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.406 ' O ' ' HB3' ' A' ' 5' ' ' GLN . . . -139.42 83.22 0.24 Allowed Glycine 0 N--CA 1.48 1.607 0 N-CA-C 109.842 -1.303 . . . . 0.0 109.842 -179.292 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.427 ' CD2' ' O ' ' A' ' 5' ' ' GLN . 21.8 m170 -79.95 139.72 36.94 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.236 -1.155 . . . . 0.0 110.546 -179.917 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.452 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -83.59 -80.28 0.19 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.292 -0.88 . . . . 0.0 110.327 -179.847 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.452 ' HB3' ' O ' ' A' ' 10' ' ' HIS . 10.5 ptt85 177.92 69.43 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.208 -0.933 . . . . 0.0 110.562 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.446 ' SG ' ' O ' ' A' ' 2' ' ' CYS . 6.9 m -77.13 -79.32 0.11 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.186 -0.946 . . . . 0.0 110.023 179.603 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -114.06 140.4 48.49 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.306 -0.871 . . . . 0.0 110.168 179.911 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 119.727 -1.858 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.362 0.601 . . . . 0.0 110.051 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.658 ' O ' HG12 ' A' ' 3' ' ' VAL . 25.2 t -141.74 9.76 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.341 -0.85 . . . . 0.0 110.396 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.486 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 0.9 OUTLIER -67.18 164.81 2.18 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.034 0 CA-C-O 121.618 0.723 . . . . 0.0 109.949 179.927 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.542 ' HG2' ' CZ2' ' A' ' 7' ' ' TRP . 6.7 mt-30 47.93 95.84 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.682 0 CA-C-O 121.97 0.891 . . . . 0.0 109.969 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -76.76 -40.91 46.81 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-O 121.533 0.682 . . . . 0.0 110.571 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.656 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 6.8 p-90 -78.73 -14.89 59.05 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.223 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.656 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -136.63 82.9 0.27 Allowed Glycine 0 N--CA 1.487 2.073 0 N-CA-C 110.046 -1.221 . . . . 0.0 110.046 -179.22 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -83.13 -175.83 6.03 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.369 -1.077 . . . . 0.0 109.489 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.442 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 37.9 m-70 -125.73 -82.77 0.63 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.065 -1.022 . . . . 0.0 110.291 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.534 ' O ' ' CG ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -178.14 74.98 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.969 -1.082 . . . . 0.0 110.059 179.689 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 87.8 m . . . . . 0 N--CA 1.491 1.582 0 O-C-N 121.198 -0.938 . . . . 0.0 110.074 -179.892 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.524 0.678 . . . . 0.0 110.064 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.662 ' O ' HG12 ' A' ' 3' ' ' VAL . 50.2 t -132.55 9.83 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 CA-C-O 121.777 0.799 . . . . 0.0 109.84 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.563 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 1.3 p -55.41 170.57 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.293 -1.891 0 CA-C-O 121.513 0.673 . . . . 0.0 110.073 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.563 ' N ' ' CG2' ' A' ' 4' ' ' VAL . 19.7 mt-30 48.36 96.38 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.634 0 CA-C-O 121.694 0.759 . . . . 0.0 109.645 -179.516 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.5 -22.95 66.78 Favored 'General case' 0 C--N 1.292 -1.907 0 CA-C-O 121.514 0.673 . . . . 0.0 110.039 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.52 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 4.5 p-90 -112.59 -19.03 12.24 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.618 -0.676 . . . . 0.0 109.936 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.52 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -92.87 58.29 2.5 Favored Glycine 0 N--CA 1.485 1.91 0 N-CA-C 109.753 -1.339 . . . . 0.0 109.753 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 57.5 m170 -79.8 127.7 32.54 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.127 -1.219 . . . . 0.0 110.593 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.462 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 90.8 m-70 -100.74 -92.47 0.3 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.261 -0.899 . . . . 0.0 110.221 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.473 ' O ' ' CG ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -179.42 82.84 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.271 -0.893 . . . . 0.0 109.923 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 92.6 m . . . . . 0 N--CA 1.49 1.556 0 O-C-N 121.193 -0.942 . . . . 0.0 110.198 -179.864 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.54 0.686 . . . . 0.0 110.072 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.525 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 1.2 t -124.3 10.11 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.449 -0.782 . . . . 0.0 110.188 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.502 ' O ' ' O ' ' A' ' 5' ' ' GLN . 0.1 OUTLIER -33.93 150.64 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 CA-C-O 121.488 0.661 . . . . 0.0 110.453 -179.653 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.521 ' CB ' ' HA3' ' A' ' 8' ' ' GLY . 92.2 mt-30 42.56 97.91 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.575 0 CA-C-O 122.269 1.033 . . . . 0.0 109.49 -178.352 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 5' ' ' GLN . 0.7 OUTLIER -42.12 -28.5 0.19 Allowed 'General case' 0 C--N 1.294 -1.839 0 CA-C-O 121.549 0.69 . . . . 0.0 109.813 -179.606 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.638 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 5.2 p-90 -121.66 -13.59 8.31 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-O 121.544 0.688 . . . . 0.0 110.156 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.638 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -81.06 56.68 4.85 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 -179.239 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -79.66 95.0 5.8 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.264 -1.139 . . . . 0.0 109.372 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -91.86 -57.71 2.65 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.292 -0.88 . . . . 0.0 111.949 -178.528 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.426 ' O ' ' CG ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -143.65 85.47 1.83 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.028 -1.045 . . . . 0.0 111.192 -178.841 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.531 -0.731 . . . . 0.0 110.094 179.329 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.45 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 26.7 p . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 121.457 0.646 . . . . 0.0 110.047 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.679 ' O ' HG12 ' A' ' 3' ' ' VAL . 41.1 t -147.18 11.79 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 CA-C-O 121.814 0.816 . . . . 0.0 110.383 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.7 HG22 ' H ' ' A' ' 5' ' ' GLN . 6.3 p -81.49 -176.87 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.289 -2.053 0 O-C-N 121.699 -0.626 . . . . 0.0 109.42 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.7 ' H ' HG22 ' A' ' 4' ' ' VAL . 0.5 OUTLIER 40.19 45.83 1.8 Allowed 'General case' 0 C--N 1.297 -1.715 0 CA-C-O 121.78 0.8 . . . . 0.0 109.756 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.505 ' O ' ' NE2' ' A' ' 9' ' ' HIS . 35.7 m-20 -40.42 -26.08 0.03 OUTLIER 'General case' 0 C--N 1.293 -1.877 0 O-C-N 121.632 -0.667 . . . . 0.0 110.723 -179.241 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.599 ' CH2' ' HG3' ' A' ' 5' ' ' GLN . 2.4 p-90 -102.36 -11.83 18.36 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.187 -0.946 . . . . 0.0 110.367 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.598 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -127.06 78.39 0.38 Allowed Glycine 0 N--CA 1.484 1.872 0 N-CA-C 110.013 -1.235 . . . . 0.0 110.013 -179.04 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.505 ' NE2' ' O ' ' A' ' 6' ' ' ASP . 45.0 m170 -77.68 158.63 29.6 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.174 -1.192 . . . . 0.0 110.382 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -117.2 -69.43 0.85 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.277 -0.889 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -179.1 89.13 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.509 -0.745 . . . . 0.0 110.111 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.1 m . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.309 -0.869 . . . . 0.0 110.251 -179.877 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.474 ' C ' HG23 ' A' ' 3' ' ' VAL . 8.4 p . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.479 0.657 . . . . 0.0 109.982 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.656 ' O ' HG12 ' A' ' 3' ' ' VAL . 94.4 t -150.12 14.79 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.138 -0.976 . . . . 0.0 110.302 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.82 HG22 ' HG3' ' A' ' 5' ' ' GLN . 0.6 OUTLIER -59.2 154.83 3.08 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.001 0 CA-C-O 121.651 0.739 . . . . 0.0 110.039 -179.828 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.82 ' HG3' HG22 ' A' ' 4' ' ' VAL . 2.7 mt-30 48.45 95.8 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 121.805 0.812 . . . . 0.0 110.014 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.406 ' O ' ' NE2' ' A' ' 9' ' ' HIS . 6.8 m-20 -61.47 -21.4 64.14 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-O 121.52 0.676 . . . . 0.0 109.763 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.62 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 6.4 p-90 -118.97 -15.42 9.31 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.559 0.695 . . . . 0.0 110.295 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.62 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -92.59 65.61 2.07 Favored Glycine 0 N--CA 1.486 2.01 0 N-CA-C 109.807 -1.317 . . . . 0.0 109.807 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.406 ' NE2' ' O ' ' A' ' 6' ' ' ASP . 15.0 m170 -79.09 126.57 30.88 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.465 -1.021 . . . . 0.0 110.489 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.46 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -98.07 -74.84 0.57 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.413 -0.804 . . . . 0.0 110.606 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.46 ' HB3' ' O ' ' A' ' 10' ' ' HIS . 0.1 OUTLIER -178.39 65.62 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.106 -0.996 . . . . 0.0 111.041 -179.701 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.495 1.822 0 O-C-N 120.98 -1.075 . . . . 0.0 110.457 179.233 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.144 0.497 . . . . 0.0 110.143 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.63 ' O ' HG12 ' A' ' 3' ' ' VAL . 36.6 t -110.42 9.13 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.257 -0.902 . . . . 0.0 110.657 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.585 HG22 ' N ' ' A' ' 5' ' ' GLN . 1.9 p -97.96 171.6 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.293 -1.885 0 CA-C-O 121.465 0.65 . . . . 0.0 110.023 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.588 ' HG3' ' CH2' ' A' ' 7' ' ' TRP . 0.0 OUTLIER 64.69 35.59 8.8 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-O 121.913 0.863 . . . . 0.0 109.638 179.619 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -43.52 -30.47 0.58 Allowed 'General case' 0 C--N 1.293 -1.876 0 CA-C-O 121.476 0.655 . . . . 0.0 110.105 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.62 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 3.3 p-90 -94.89 -13.99 24.94 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.467 -0.771 . . . . 0.0 110.017 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.62 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -125.97 77.34 0.39 Allowed Glycine 0 N--CA 1.482 1.754 0 N-CA-C 108.971 -1.651 . . . . 0.0 108.971 -179.573 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -77.45 166.41 23.14 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.162 -1.199 . . . . 0.0 110.78 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -132.76 -92.99 0.36 Allowed 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.712 -0.617 . . . . 0.0 109.65 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 ptt85 -176.28 54.57 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.153 -0.967 . . . . 0.0 110.143 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 67.7 m . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.278 -0.889 . . . . 0.0 110.07 179.804 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.7 p . . . . . 0 N--CA 1.494 1.757 0 CA-C-O 121.216 0.532 . . . . 0.0 110.116 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.692 ' O ' HG12 ' A' ' 3' ' ' VAL . 55.5 t -142.62 11.34 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.29 -0.881 . . . . 0.0 110.671 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.495 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 0.7 OUTLIER -56.64 165.43 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.289 -2.034 0 CA-C-O 121.644 0.735 . . . . 0.0 110.419 -179.752 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.495 ' N ' ' CG2' ' A' ' 4' ' ' VAL . 14.2 mt-30 43.6 97.71 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 122.015 0.912 . . . . 0.0 110.101 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.31 -42.81 92.65 Favored 'General case' 0 C--N 1.292 -1.897 0 CA-C-O 121.572 0.701 . . . . 0.0 110.112 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.587 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 8.6 p-90 -93.16 -16.3 25.02 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-O 121.577 0.703 . . . . 0.0 109.902 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.587 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -114.26 71.55 0.24 Allowed Glycine 0 N--CA 1.488 2.103 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -79.07 -176.28 5.01 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.335 -1.097 . . . . 0.0 109.85 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -124.92 -100.07 0.4 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.157 -0.965 . . . . 0.0 110.422 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -156.35 60.59 0.56 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.924 -1.11 . . . . 0.0 110.276 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 86.4 m . . . . . 0 N--CA 1.49 1.556 0 O-C-N 121.371 -0.83 . . . . 0.0 110.076 179.778 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.463 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 1.6 p . . . . . 0 N--CA 1.496 1.871 0 CA-C-O 121.773 0.797 . . . . 0.0 110.518 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.663 ' O ' HG12 ' A' ' 3' ' ' VAL . 42.0 t -120.08 10.98 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 CA-C-O 122.041 0.924 . . . . 0.0 109.825 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.542 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 1.2 p -55.8 170.93 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 CA-C-O 121.697 0.76 . . . . 0.0 110.457 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.542 ' N ' ' CG2' ' A' ' 4' ' ' VAL . 37.7 mt-30 42.41 93.81 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.479 0 CA-C-O 121.672 0.748 . . . . 0.0 110.368 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.74 -18.6 58.38 Favored 'General case' 0 C--N 1.291 -1.952 0 CA-C-O 121.793 0.806 . . . . 0.0 109.697 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 2.1 p-90 -112.66 -12.98 13.33 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-O 121.598 0.713 . . . . 0.0 109.781 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.493 ' O ' ' HB3' ' A' ' 5' ' ' GLN . . . -125.27 77.96 0.38 Allowed Glycine 0 N--CA 1.48 1.603 0 N-CA-C 109.357 -1.497 . . . . 0.0 109.357 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.492 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 2.8 m170 -77.55 -175.84 4.0 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.223 -1.163 . . . . 0.0 109.895 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -149.35 -74.6 0.17 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.269 -0.894 . . . . 0.0 109.719 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.45 87.85 0.06 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.614 -0.679 . . . . 0.0 109.929 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.463 ' SG ' ' O ' ' A' ' 2' ' ' CYS . 23.5 m . . . . . 0 N--CA 1.49 1.528 0 O-C-N 121.278 -0.889 . . . . 0.0 110.335 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 16.2 p . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 121.251 0.548 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.7 ' O ' HG12 ' A' ' 3' ' ' VAL . 46.5 t -129.72 14.15 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.221 -0.924 . . . . 0.0 110.137 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.557 HG22 ' N ' ' A' ' 5' ' ' GLN . 1.6 p -71.98 168.85 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.906 0 CA-C-O 121.523 0.678 . . . . 0.0 110.735 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.557 ' N ' HG22 ' A' ' 4' ' ' VAL . 65.0 mt-30 38.35 89.69 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.791 0.805 . . . . 0.0 110.394 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -71.23 -17.83 62.48 Favored 'General case' 0 C--N 1.287 -2.125 0 CA-C-O 121.388 0.613 . . . . 0.0 110.238 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.562 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 4.3 p-90 -119.32 -10.84 9.64 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.418 -0.801 . . . . 0.0 110.203 -179.556 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.562 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -119.2 81.46 0.33 Allowed Glycine 0 N--CA 1.483 1.794 0 N-CA-C 108.917 -1.673 . . . . 0.0 108.917 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.499 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 3.7 m170 -77.84 160.49 28.28 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.396 -1.061 . . . . 0.0 111.076 -178.733 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -120.84 -76.31 0.58 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.568 -0.707 . . . . 0.0 110.075 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.633 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -176.61 111.59 0.09 Allowed 'General case' 0 C--N 1.305 -1.33 0 CA-C-O 122.146 0.974 . . . . 0.0 108.705 179.561 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.489 1.509 0 O-C-N 121.266 -0.896 . . . . 0.0 110.504 -178.504 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.729 0 CA-C-O 121.336 0.589 . . . . 0.0 110.057 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.641 ' O ' HG12 ' A' ' 3' ' ' VAL . 19.4 t -118.14 9.82 6.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 CA-C-O 121.87 0.843 . . . . 0.0 110.377 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.555 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 1.3 p -65.35 169.96 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 CA-C-O 121.663 0.744 . . . . 0.0 110.434 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.594 ' HG2' ' CH2' ' A' ' 7' ' ' TRP . 18.8 mt-30 47.16 91.7 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.579 0 CA-C-O 121.871 0.843 . . . . 0.0 110.869 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.66 -16.06 60.24 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-O 121.756 0.789 . . . . 0.0 109.354 178.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.604 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 3.5 p-90 -116.87 -13.69 10.69 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 121.723 0.773 . . . . 0.0 109.638 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.604 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -109.3 73.56 0.2 Allowed Glycine 0 N--CA 1.481 1.688 0 N-CA-C 108.799 -1.72 . . . . 0.0 108.799 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.515 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 2.0 m170 -78.29 134.6 37.49 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.47 -1.018 . . . . 0.0 110.475 -179.335 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.523 ' C ' ' HG3' ' A' ' 11' ' ' ARG . 1.5 m-70 -113.02 -109.43 0.36 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.414 -0.804 . . . . 0.0 109.384 179.201 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.523 ' HG3' ' C ' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -153.02 80.31 1.2 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.832 -1.167 . . . . 0.0 109.479 179.149 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.4 m . . . . . 0 N--CA 1.492 1.66 0 O-C-N 121.092 -1.005 . . . . 0.0 110.166 -179.922 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.445 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 25.2 p . . . . . 0 N--CA 1.489 1.518 0 CA-C-O 121.65 0.738 . . . . 0.0 110.506 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.51 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 1.0 OUTLIER -136.75 5.57 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 CA-C-O 121.681 0.753 . . . . 0.0 110.014 179.705 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.489 HG12 ' H ' ' A' ' 4' ' ' VAL . 0.8 OUTLIER -65.82 158.04 5.12 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.052 0 CA-C-O 121.871 0.843 . . . . 0.0 110.069 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.578 ' O ' ' CD2' ' A' ' 9' ' ' HIS . 44.9 mt-30 51.79 97.98 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.766 0 CA-C-O 121.793 0.806 . . . . 0.0 110.567 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.07 -21.48 54.34 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-O 121.821 0.819 . . . . 0.0 109.809 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.656 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 4.2 p-90 -111.26 -16.94 13.29 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 121.667 0.746 . . . . 0.0 109.68 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.656 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -106.87 68.32 0.23 Allowed Glycine 0 N--CA 1.487 2.042 0 N-CA-C 109.341 -1.503 . . . . 0.0 109.341 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.578 ' CD2' ' O ' ' A' ' 5' ' ' GLN . 8.6 m-70 -92.14 148.16 22.38 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.437 -1.037 . . . . 0.0 110.895 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.404 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -112.51 -76.4 0.59 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.197 -0.939 . . . . 0.0 109.912 179.877 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.404 ' HB3' ' O ' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -179.55 89.22 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.508 -0.745 . . . . 0.0 110.197 -179.673 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.2 m . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.121 -0.987 . . . . 0.0 109.761 179.812 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.57 ' O ' HG23 ' A' ' 3' ' ' VAL . 25.1 p . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.566 0.698 . . . . 0.0 109.997 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.73 ' O ' HG12 ' A' ' 3' ' ' VAL . 50.8 t -156.15 15.26 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 CA-C-O 121.763 0.792 . . . . 0.0 110.738 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.57 HG22 ' N ' ' A' ' 5' ' ' GLN . 2.6 p -57.75 172.67 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.08 0 O-C-N 121.511 -0.743 . . . . 0.0 109.709 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.591 ' OE1' ' CZ3' ' A' ' 7' ' ' TRP . 11.7 mt-30 53.15 94.69 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.391 -0.818 . . . . 0.0 109.737 -178.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -21.15 64.2 Favored 'General case' 0 C--N 1.295 -1.765 0 CA-C-O 121.672 0.749 . . . . 0.0 109.942 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.638 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 4.0 p-90 -113.41 -12.7 12.94 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 121.58 0.705 . . . . 0.0 109.756 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.638 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -104.19 71.32 0.26 Allowed Glycine 0 N--CA 1.485 1.96 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 -179.245 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 62.2 m170 -78.84 139.99 38.26 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.49 -1.006 . . . . 0.0 110.331 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -98.66 -80.66 0.46 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.255 -0.903 . . . . 0.0 109.994 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -171.4 50.3 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.3 -0.875 . . . . 0.0 110.437 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.431 ' SG ' ' O ' ' A' ' 2' ' ' CYS . 87.2 m . . . . . 0 N--CA 1.489 1.478 0 O-C-N 121.216 -0.928 . . . . 0.0 110.21 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.497 1.925 0 CA-C-O 121.37 0.605 . . . . 0.0 109.807 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.625 ' O ' HG12 ' A' ' 3' ' ' VAL . 4.0 t -123.98 14.42 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 CA-C-O 121.904 0.859 . . . . 0.0 109.746 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.483 ' O ' ' O ' ' A' ' 3' ' ' VAL . 0.7 OUTLIER -39.35 162.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.291 -1.949 0 CA-C-O 121.709 0.766 . . . . 0.0 110.493 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.519 ' O ' ' CD2' ' A' ' 9' ' ' HIS . 76.5 mt-30 58.67 103.61 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 121.719 0.771 . . . . 0.0 109.564 -179.175 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -73.95 -22.42 59.66 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-O 121.417 0.627 . . . . 0.0 110.784 -179.456 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.663 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 6.2 p-90 -115.58 -15.94 11.37 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.39 -0.819 . . . . 0.0 110.691 -178.772 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.663 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -129.43 75.86 0.42 Allowed Glycine 0 N--CA 1.488 2.12 0 C-N-CA 119.725 -1.226 . . . . 0.0 110.208 -178.789 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.519 ' CD2' ' O ' ' A' ' 5' ' ' GLN . 15.9 m80 -79.67 168.28 19.56 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.121 -1.223 . . . . 0.0 109.379 179.273 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.441 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 6.7 m170 -107.05 -90.82 0.42 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.066 -1.021 . . . . 0.0 110.41 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.442 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -178.32 60.85 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.214 -0.929 . . . . 0.0 110.039 -179.785 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.492 1.671 0 O-C-N 121.292 -0.88 . . . . 0.0 110.501 -179.707 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.442 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 1.8 p . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.385 0.612 . . . . 0.0 110.167 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.663 ' O ' HG12 ' A' ' 3' ' ' VAL . 54.4 t -128.13 13.15 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 CA-C-O 121.931 0.872 . . . . 0.0 109.951 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.566 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 1.3 p -59.64 169.58 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.926 0 CA-C-O 121.839 0.828 . . . . 0.0 111.106 -179.411 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.585 ' HB3' ' CA ' ' A' ' 8' ' ' GLY . 2.7 mt-30 37.89 90.38 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 CA-C-O 121.908 0.861 . . . . 0.0 110.999 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.585 ' OD1' ' CD1' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -45.34 -39.71 7.06 Favored 'General case' 0 N--CA 1.501 2.1 0 CA-C-O 121.53 0.681 . . . . 0.0 110.105 179.619 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.634 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 4.1 p-90 -113.67 -12.32 12.83 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.559 -0.713 . . . . 0.0 110.614 -179.005 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.634 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -93.87 64.1 1.79 Allowed Glycine 0 N--CA 1.485 1.957 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 -179.236 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -78.56 164.13 24.95 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.41 -1.053 . . . . 0.0 109.82 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.545 ' HB3' ' HD3' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -130.54 -82.53 0.54 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.126 -0.984 . . . . 0.0 111.326 -179.059 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.675 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -171.49 45.28 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.09 -1.006 . . . . 0.0 111.394 -179.085 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 79.9 m . . . . . 0 N--CA 1.494 1.766 0 O-C-N 120.411 -1.431 . . . . 0.0 110.692 179.321 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.7 p . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.356 0.598 . . . . 0.0 110.15 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.675 ' O ' HG12 ' A' ' 3' ' ' VAL . 42.2 t -139.44 10.86 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 CA-C-O 121.863 0.84 . . . . 0.0 110.556 -179.609 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.541 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 1.4 p -62.16 169.94 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.941 0 CA-C-O 121.587 0.708 . . . . 0.0 110.434 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.541 ' N ' ' CG2' ' A' ' 4' ' ' VAL . 6.5 mt-30 43.69 94.28 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 122.164 0.983 . . . . 0.0 109.768 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -75.11 -23.0 57.86 Favored 'General case' 0 C--N 1.289 -2.043 0 CA-C-O 121.464 0.649 . . . . 0.0 110.812 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.571 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 4.0 p-90 -106.18 -7.39 17.91 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.369 -0.832 . . . . 0.0 110.771 -179.275 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.571 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -147.92 93.21 0.15 Allowed Glycine 0 N--CA 1.481 1.691 0 C-N-CA 119.495 -1.336 . . . . 0.0 110.56 -178.576 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -78.39 167.17 21.74 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.395 -1.062 . . . . 0.0 109.683 179.213 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.531 ' HB3' ' HD2' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -110.43 -95.36 0.42 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.087 -1.008 . . . . 0.0 110.53 -179.607 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.597 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -158.53 93.69 1.22 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.994 -1.066 . . . . 0.0 110.03 179.54 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 91.2 m . . . . . 0 N--CA 1.491 1.585 0 O-C-N 120.971 -1.08 . . . . 0.0 110.402 -179.431 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.486 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 22.5 p . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.594 0.712 . . . . 0.0 110.451 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.497 ' O ' HG12 ' A' ' 3' ' ' VAL . 17.6 t -148.65 13.55 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 120.999 -1.063 . . . . 0.0 110.639 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.509 ' CG2' ' OE1' ' A' ' 5' ' ' GLN . 0.9 OUTLIER -52.8 161.85 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.968 0 CA-C-O 121.608 0.718 . . . . 0.0 110.263 -179.732 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.596 ' O ' ' CD2' ' A' ' 9' ' ' HIS . 0.3 OUTLIER 41.4 96.95 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 121.954 0.883 . . . . 0.0 110.432 -179.833 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.404 ' O ' ' NE2' ' A' ' 9' ' ' HIS . 13.9 m-20 -56.15 -28.46 58.08 Favored 'General case' 0 C--N 1.288 -2.094 0 CA-C-O 121.401 0.619 . . . . 0.0 110.064 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.63 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 4.8 p-90 -115.98 -13.27 11.27 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.327 -0.858 . . . . 0.0 110.622 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.63 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -114.79 70.15 0.25 Allowed Glycine 0 N--CA 1.489 2.188 0 C-N-CA 119.971 -1.109 . . . . 0.0 110.36 -178.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 5' ' ' GLN . 19.8 m170 -79.8 167.54 20.45 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.127 -1.219 . . . . 0.0 109.596 179.375 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.422 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 1.6 t-80 -114.92 -43.49 3.11 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.066 -1.022 . . . . 0.0 110.419 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.422 ' HB3' ' O ' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -179.34 78.56 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.331 -0.856 . . . . 0.0 110.568 -179.885 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.4 m . . . . . 0 N--CA 1.488 1.439 0 O-C-N 121.312 -0.868 . . . . 0.0 110.07 179.837 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.413 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 24.8 p . . . . . 0 N--CA 1.494 1.729 0 CA-C-O 121.292 0.568 . . . . 0.0 111.255 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.657 ' O ' HG12 ' A' ' 3' ' ' VAL . 38.6 t -149.11 10.15 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.404 -0.81 . . . . 0.0 110.843 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.552 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 0.7 OUTLIER -56.19 170.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.893 0 O-C-N 121.477 -0.764 . . . . 0.0 110.006 179.742 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.552 ' N ' ' CG2' ' A' ' 4' ' ' VAL . 77.0 mt-30 48.36 98.39 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 121.897 0.856 . . . . 0.0 109.933 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.517 ' O ' ' NE2' ' A' ' 9' ' ' HIS . 4.8 m-20 -75.15 -23.25 57.77 Favored 'General case' 0 C--N 1.289 -2.054 0 CA-C-O 121.329 0.585 . . . . 0.0 110.531 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.657 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 5.9 p-90 -112.78 -15.93 12.85 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.403 -0.81 . . . . 0.0 110.354 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.657 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -116.01 73.21 0.26 Allowed Glycine 0 N--CA 1.487 2.094 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 -179.185 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.517 ' NE2' ' O ' ' A' ' 6' ' ' ASP . 16.1 m170 -79.55 175.32 10.72 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.329 -1.1 . . . . 0.0 110.195 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.03 -86.99 0.38 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.177 -0.952 . . . . 0.0 109.977 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.527 ' O ' ' CG ' ' A' ' 11' ' ' ARG . 1.0 OUTLIER -159.88 94.48 1.13 Allowed 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.063 -1.023 . . . . 0.0 109.267 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.494 1.728 0 O-C-N 121.043 -1.035 . . . . 0.0 110.514 -179.308 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.0 p . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 121.418 0.628 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.674 ' O ' HG12 ' A' ' 3' ' ' VAL . 42.9 t -129.92 8.5 2.32 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 121.444 -0.785 . . . . 0.0 110.293 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.551 HG22 ' HG3' ' A' ' 5' ' ' GLN . 1.3 p -60.26 164.77 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.928 0 C-N-CA 119.935 -0.706 . . . . 0.0 109.77 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.551 ' HG3' HG22 ' A' ' 4' ' ' VAL . 26.8 mt-30 46.0 95.47 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.619 0 CA-C-O 121.746 0.784 . . . . 0.0 109.665 -179.066 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.11 -21.23 30.61 Favored 'General case' 0 C--N 1.291 -1.959 0 CA-C-O 121.76 0.791 . . . . 0.0 109.909 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.648 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 5.7 p-90 -117.13 -16.46 10.42 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 121.538 0.685 . . . . 0.0 109.924 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.648 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -78.38 52.78 3.83 Favored Glycine 0 N--CA 1.488 2.102 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -179.575 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -85.85 106.3 16.97 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.284 -1.127 . . . . 0.0 109.654 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -110.14 -46.02 3.51 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.205 -0.934 . . . . 0.0 111.282 -179.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.606 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -165.78 100.71 0.67 Allowed 'General case' 0 C--N 1.303 -1.418 0 O-C-N 120.944 -1.097 . . . . 0.0 109.964 -179.087 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.3 -1.577 0 O-C-N 121.015 -1.053 . . . . 0.0 109.902 179.442 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 121.364 0.602 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.66 ' O ' HG12 ' A' ' 3' ' ' VAL . 23.1 t -134.92 10.97 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 CA-C-O 121.893 0.854 . . . . 0.0 109.876 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.576 HG22 ' N ' ' A' ' 5' ' ' GLN . 2.3 p -57.51 172.81 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.948 0 O-C-N 121.741 -0.599 . . . . 0.0 109.669 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.576 ' N ' HG22 ' A' ' 4' ' ' VAL . 41.1 mt-30 52.31 93.67 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.314 -0.866 . . . . 0.0 108.939 -178.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -72.8 -22.27 60.85 Favored 'General case' 0 C--N 1.289 -2.044 0 CA-C-O 121.4 0.619 . . . . 0.0 110.42 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.677 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 5.9 p-90 -118.05 -13.95 9.97 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.528 -0.732 . . . . 0.0 110.777 -179.076 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.677 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -121.84 72.94 0.37 Allowed Glycine 0 N--CA 1.489 2.191 0 N-CA-C 110.149 -1.18 . . . . 0.0 110.149 -178.255 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.499 ' CD2' ' O ' ' A' ' 5' ' ' GLN . 29.0 m-70 -84.26 -173.14 4.55 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.213 -1.169 . . . . 0.0 109.946 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -140.22 -80.24 0.28 Allowed 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.339 -0.851 . . . . 0.0 110.159 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.2 ptt-85 -162.8 77.02 0.45 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.279 -0.888 . . . . 0.0 110.232 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.9 m . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.287 -0.883 . . . . 0.0 109.99 179.599 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.752 0 CA-C-O 121.357 0.598 . . . . 0.0 109.66 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.601 ' O ' HG12 ' A' ' 3' ' ' VAL . 9.1 t -115.79 8.25 7.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 CA-C-O 121.872 0.844 . . . . 0.0 110.197 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.478 ' O ' ' O ' ' A' ' 5' ' ' GLN . 0.2 OUTLIER -55.25 151.26 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.123 0 C-N-CA 119.598 -0.841 . . . . 0.0 109.8 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.61 ' HG3' ' CZ2' ' A' ' 7' ' ' TRP . 0.8 OUTLIER 39.48 93.69 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 122.081 0.943 . . . . 0.0 109.97 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.02 -44.06 97.97 Favored 'General case' 0 C--N 1.291 -1.978 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.71 -179.447 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.656 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 5.7 p-90 -79.69 -15.85 56.78 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.448 -0.782 . . . . 0.0 110.015 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.656 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -115.24 70.39 0.26 Allowed Glycine 0 N--CA 1.486 2.009 0 N-CA-C 109.972 -1.251 . . . . 0.0 109.972 -179.288 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -96.32 162.0 13.69 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.332 -1.099 . . . . 0.0 109.905 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.449 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 72.7 m-70 -109.3 -84.44 0.55 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.127 -0.983 . . . . 0.0 110.057 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.449 ' HB3' ' O ' ' A' ' 10' ' ' HIS . 17.0 ptt85 179.44 66.06 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.26 -0.9 . . . . 0.0 109.785 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 68.0 m . . . . . 0 N--CA 1.49 1.541 0 O-C-N 121.28 -0.887 . . . . 0.0 110.401 -179.801 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.465 ' C ' HG23 ' A' ' 3' ' ' VAL . 11.7 p . . . . . 0 N--CA 1.493 1.676 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.65 ' O ' HG12 ' A' ' 3' ' ' VAL . 90.2 t -148.01 16.41 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.289 -0.882 . . . . 0.0 110.377 -179.486 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.54 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 1.0 OUTLIER -43.21 169.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.29 -2.0 0 CA-C-O 121.653 0.74 . . . . 0.0 110.478 179.858 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.54 ' N ' ' CG2' ' A' ' 4' ' ' VAL . 12.4 mt-30 49.98 95.89 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.825 0.821 . . . . 0.0 110.077 -179.603 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -80.79 -20.92 41.5 Favored 'General case' 0 C--N 1.293 -1.872 0 CA-C-O 121.762 0.791 . . . . 0.0 109.733 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -101.55 -13.15 18.0 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-O 121.631 0.729 . . . . 0.0 109.34 179.502 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.445 ' O ' ' HB3' ' A' ' 5' ' ' GLN . . . -139.42 83.22 0.24 Allowed Glycine 0 N--CA 1.48 1.607 0 N-CA-C 109.842 -1.303 . . . . 0.0 109.842 -179.292 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.427 ' CD2' ' O ' ' A' ' 5' ' ' GLN . 21.8 m170 -79.95 139.72 36.94 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.236 -1.155 . . . . 0.0 110.546 -179.917 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.443 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -83.59 -80.28 0.19 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.292 -0.88 . . . . 0.0 110.327 -179.847 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.443 ' HB3' ' O ' ' A' ' 10' ' ' HIS . 10.5 ptt85 177.92 69.43 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.208 -0.933 . . . . 0.0 110.562 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.446 ' SG ' ' O ' ' A' ' 2' ' ' CYS . 6.9 m . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.186 -0.946 . . . . 0.0 110.023 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 13.7 tt . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.381 0.61 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -170.61 113.03 0.42 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.346 -0.846 . . . . 0.0 110.051 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.658 ' O ' HG12 ' A' ' 3' ' ' VAL . 25.2 t -141.74 9.76 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.341 -0.85 . . . . 0.0 110.396 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.486 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 0.9 OUTLIER -67.18 164.81 2.18 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.034 0 CA-C-O 121.618 0.723 . . . . 0.0 109.949 179.927 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.542 ' HG2' ' CZ2' ' A' ' 7' ' ' TRP . 6.7 mt-30 47.93 95.84 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.682 0 CA-C-O 121.97 0.891 . . . . 0.0 109.969 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -76.76 -40.91 46.81 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-O 121.533 0.682 . . . . 0.0 110.571 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.656 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 6.8 p-90 -78.73 -14.89 59.05 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.223 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.656 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -136.63 82.9 0.27 Allowed Glycine 0 N--CA 1.487 2.073 0 N-CA-C 110.046 -1.221 . . . . 0.0 110.046 -179.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -83.13 -175.83 6.03 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.369 -1.077 . . . . 0.0 109.489 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.442 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 37.9 m-70 -125.73 -82.77 0.63 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.065 -1.022 . . . . 0.0 110.291 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.534 ' O ' ' CG ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -178.14 74.98 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.969 -1.082 . . . . 0.0 110.059 179.689 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 87.8 m -69.67 -125.25 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.198 -0.938 . . . . 0.0 110.074 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.55 -169.27 1.55 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.864 -1.147 . . . . 0.0 110.202 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.316 0 O-C-N 119.849 -1.782 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 43.0 mt . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.395 0.616 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -152.83 109.98 3.51 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.438 -0.789 . . . . 0.0 110.064 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.662 ' O ' HG12 ' A' ' 3' ' ' VAL . 50.2 t -132.55 9.83 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 CA-C-O 121.777 0.799 . . . . 0.0 109.84 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.563 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 1.3 p -55.41 170.57 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.293 -1.891 0 CA-C-O 121.513 0.673 . . . . 0.0 110.073 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.563 ' N ' ' CG2' ' A' ' 4' ' ' VAL . 19.7 mt-30 48.36 96.38 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.634 0 CA-C-O 121.694 0.759 . . . . 0.0 109.645 -179.516 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.5 -22.95 66.78 Favored 'General case' 0 C--N 1.292 -1.907 0 CA-C-O 121.514 0.673 . . . . 0.0 110.039 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.52 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 4.5 p-90 -112.59 -19.03 12.24 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.618 -0.676 . . . . 0.0 109.936 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.52 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -92.87 58.29 2.5 Favored Glycine 0 N--CA 1.485 1.91 0 N-CA-C 109.753 -1.339 . . . . 0.0 109.753 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 57.5 m170 -79.8 127.7 32.54 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.127 -1.219 . . . . 0.0 110.593 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.462 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 90.8 m-70 -100.74 -92.47 0.3 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.261 -0.899 . . . . 0.0 110.221 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.473 ' O ' ' CG ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -179.42 82.84 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.271 -0.893 . . . . 0.0 109.923 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 92.6 m -69.79 -18.12 63.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.193 -0.942 . . . . 0.0 110.198 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 86.5 m -142.87 69.29 1.31 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.278 -0.889 . . . . 0.0 110.093 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.308 0 O-C-N 119.785 -1.822 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.3 p -105.26 115.2 29.86 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.222 -0.924 . . . . 0.0 110.072 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.525 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 1.2 t -124.3 10.11 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.449 -0.782 . . . . 0.0 110.188 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.502 ' O ' ' O ' ' A' ' 5' ' ' GLN . 0.1 OUTLIER -33.93 150.64 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 CA-C-O 121.488 0.661 . . . . 0.0 110.453 -179.653 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.521 ' CB ' ' HA3' ' A' ' 8' ' ' GLY . 92.2 mt-30 42.56 97.91 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.575 0 CA-C-O 122.269 1.033 . . . . 0.0 109.49 -178.352 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 5' ' ' GLN . 0.7 OUTLIER -42.12 -28.5 0.19 Allowed 'General case' 0 C--N 1.294 -1.839 0 CA-C-O 121.549 0.69 . . . . 0.0 109.813 -179.606 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.638 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 5.2 p-90 -121.66 -13.59 8.31 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-O 121.544 0.688 . . . . 0.0 110.156 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.638 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -81.06 56.68 4.85 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 -179.239 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -79.66 95.0 5.8 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.264 -1.139 . . . . 0.0 109.372 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -91.86 -57.71 2.65 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.292 -0.88 . . . . 0.0 111.949 -178.528 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.426 ' O ' ' CG ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -143.65 85.47 1.83 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.028 -1.045 . . . . 0.0 111.192 -178.841 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 m -132.89 156.54 47.03 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.531 -0.731 . . . . 0.0 110.094 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.6 t -101.59 -7.52 22.67 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.063 -1.023 . . . . 0.0 110.11 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.387 0 O-C-N 119.949 -1.719 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.469 HD13 ' HA ' ' A' ' 1' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.124 0.488 . . . . 0.0 110.155 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.45 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 26.7 p -93.09 112.98 25.11 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.084 -1.01 . . . . 0.0 110.047 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.679 ' O ' HG12 ' A' ' 3' ' ' VAL . 41.1 t -147.18 11.79 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 CA-C-O 121.814 0.816 . . . . 0.0 110.383 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.7 HG22 ' H ' ' A' ' 5' ' ' GLN . 6.3 p -81.49 -176.87 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.289 -2.053 0 O-C-N 121.699 -0.626 . . . . 0.0 109.42 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.7 ' H ' HG22 ' A' ' 4' ' ' VAL . 0.5 OUTLIER 40.19 45.83 1.8 Allowed 'General case' 0 C--N 1.297 -1.715 0 CA-C-O 121.78 0.8 . . . . 0.0 109.756 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.505 ' O ' ' NE2' ' A' ' 9' ' ' HIS . 35.7 m-20 -40.42 -26.08 0.03 OUTLIER 'General case' 0 C--N 1.293 -1.877 0 O-C-N 121.632 -0.667 . . . . 0.0 110.723 -179.241 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.599 ' CH2' ' HG3' ' A' ' 5' ' ' GLN . 2.4 p-90 -102.36 -11.83 18.36 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.187 -0.946 . . . . 0.0 110.367 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.598 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -127.06 78.39 0.38 Allowed Glycine 0 N--CA 1.484 1.872 0 N-CA-C 110.013 -1.235 . . . . 0.0 110.013 -179.04 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.505 ' NE2' ' O ' ' A' ' 6' ' ' ASP . 45.0 m170 -77.68 158.63 29.6 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.174 -1.192 . . . . 0.0 110.382 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -117.2 -69.43 0.85 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.277 -0.889 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -179.1 89.13 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.509 -0.745 . . . . 0.0 110.111 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.1 m -83.53 -91.18 0.08 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.309 -0.869 . . . . 0.0 110.251 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -160.41 127.78 4.43 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.292 -0.88 . . . . 0.0 109.763 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.449 0 O-C-N 119.91 -1.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.672 HD13 ' O ' ' A' ' 1' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.128 0.49 . . . . 0.0 110.201 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.474 ' C ' HG23 ' A' ' 3' ' ' VAL . 8.4 p -84.26 127.55 34.02 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.062 -1.024 . . . . 0.0 109.982 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.656 ' O ' HG12 ' A' ' 3' ' ' VAL . 94.4 t -150.12 14.79 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.138 -0.976 . . . . 0.0 110.302 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.82 HG22 ' HG3' ' A' ' 5' ' ' GLN . 0.6 OUTLIER -59.2 154.83 3.08 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.001 0 CA-C-O 121.651 0.739 . . . . 0.0 110.039 -179.828 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.82 ' HG3' HG22 ' A' ' 4' ' ' VAL . 2.7 mt-30 48.45 95.8 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 121.805 0.812 . . . . 0.0 110.014 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.406 ' O ' ' NE2' ' A' ' 9' ' ' HIS . 6.8 m-20 -61.47 -21.4 64.14 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-O 121.52 0.676 . . . . 0.0 109.763 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.62 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 6.4 p-90 -118.97 -15.42 9.31 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.559 0.695 . . . . 0.0 110.295 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.62 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -92.59 65.61 2.07 Favored Glycine 0 N--CA 1.486 2.01 0 N-CA-C 109.807 -1.317 . . . . 0.0 109.807 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.406 ' NE2' ' O ' ' A' ' 6' ' ' ASP . 15.0 m170 -79.09 126.57 30.88 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.465 -1.021 . . . . 0.0 110.489 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.46 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -98.07 -74.84 0.57 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.413 -0.804 . . . . 0.0 110.606 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.46 ' HB3' ' O ' ' A' ' 10' ' ' HIS . 0.1 OUTLIER -178.39 65.62 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.106 -0.996 . . . . 0.0 111.041 -179.701 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 m -73.24 -77.22 0.11 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.98 -1.075 . . . . 0.0 110.457 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.86 139.6 30.92 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.436 -0.79 . . . . 0.0 109.779 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.366 0 O-C-N 119.885 -1.759 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.74 HD13 ' O ' ' A' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.727 0 CA-C-O 121.328 0.585 . . . . 0.0 109.93 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.9 m -140.19 114.73 9.35 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.294 -0.879 . . . . 0.0 110.143 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.63 ' O ' HG12 ' A' ' 3' ' ' VAL . 36.6 t -110.42 9.13 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.257 -0.902 . . . . 0.0 110.657 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.585 HG22 ' N ' ' A' ' 5' ' ' GLN . 1.9 p -97.96 171.6 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.293 -1.885 0 CA-C-O 121.465 0.65 . . . . 0.0 110.023 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.588 ' HG3' ' CH2' ' A' ' 7' ' ' TRP . 0.0 OUTLIER 64.69 35.59 8.8 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-O 121.913 0.863 . . . . 0.0 109.638 179.619 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -43.52 -30.47 0.58 Allowed 'General case' 0 C--N 1.293 -1.876 0 CA-C-O 121.476 0.655 . . . . 0.0 110.105 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.62 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 3.3 p-90 -94.89 -13.99 24.94 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.467 -0.771 . . . . 0.0 110.017 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.62 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -125.97 77.34 0.39 Allowed Glycine 0 N--CA 1.482 1.754 0 N-CA-C 108.971 -1.651 . . . . 0.0 108.971 -179.573 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -77.45 166.41 23.14 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.162 -1.199 . . . . 0.0 110.78 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -132.76 -92.99 0.36 Allowed 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.712 -0.617 . . . . 0.0 109.65 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 ptt85 -176.28 54.57 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.153 -0.967 . . . . 0.0 110.143 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 67.7 m -79.51 4.47 15.63 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.278 -0.889 . . . . 0.0 110.07 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.7 m -161.99 119.28 2.15 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.291 -0.881 . . . . 0.0 110.204 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 119.831 -1.793 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.37 0.605 . . . . 0.0 109.877 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.7 p -71.27 110.57 5.99 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.146 -0.971 . . . . 0.0 110.116 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.692 ' O ' HG12 ' A' ' 3' ' ' VAL . 55.5 t -142.62 11.34 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.29 -0.881 . . . . 0.0 110.671 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.495 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 0.7 OUTLIER -56.64 165.43 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.289 -2.034 0 CA-C-O 121.644 0.735 . . . . 0.0 110.419 -179.752 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.495 ' N ' ' CG2' ' A' ' 4' ' ' VAL . 14.2 mt-30 43.6 97.71 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 122.015 0.912 . . . . 0.0 110.101 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.31 -42.81 92.65 Favored 'General case' 0 C--N 1.292 -1.897 0 CA-C-O 121.572 0.701 . . . . 0.0 110.112 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.587 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 8.6 p-90 -93.16 -16.3 25.02 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-O 121.577 0.703 . . . . 0.0 109.902 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.587 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -114.26 71.55 0.24 Allowed Glycine 0 N--CA 1.488 2.103 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -79.07 -176.28 5.01 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.335 -1.097 . . . . 0.0 109.85 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -124.92 -100.07 0.4 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.157 -0.965 . . . . 0.0 110.422 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -156.35 60.59 0.56 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.924 -1.11 . . . . 0.0 110.276 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 86.4 m -77.94 -96.31 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.371 -0.83 . . . . 0.0 110.076 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -147.11 3.35 0.8 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.105 -0.997 . . . . 0.0 110.632 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.484 0 O-C-N 119.776 -1.827 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.446 ' HA ' HD12 ' A' ' 1' ' ' ILE . 6.9 tp . . . . . 0 N--CA 1.493 1.694 0 CA-C-O 121.361 0.6 . . . . 0.0 110.241 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.463 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 1.6 p -68.12 112.33 5.01 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 119.326 -0.949 . . . . 0.0 110.518 -179.163 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.663 ' O ' HG12 ' A' ' 3' ' ' VAL . 42.0 t -120.08 10.98 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 CA-C-O 122.041 0.924 . . . . 0.0 109.825 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.542 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 1.2 p -55.8 170.93 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 CA-C-O 121.697 0.76 . . . . 0.0 110.457 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.542 ' N ' ' CG2' ' A' ' 4' ' ' VAL . 37.7 mt-30 42.41 93.81 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.479 0 CA-C-O 121.672 0.748 . . . . 0.0 110.368 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.74 -18.6 58.38 Favored 'General case' 0 C--N 1.291 -1.952 0 CA-C-O 121.793 0.806 . . . . 0.0 109.697 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 2.1 p-90 -112.66 -12.98 13.33 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-O 121.598 0.713 . . . . 0.0 109.781 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.493 ' O ' ' HB3' ' A' ' 5' ' ' GLN . . . -125.27 77.96 0.38 Allowed Glycine 0 N--CA 1.48 1.603 0 N-CA-C 109.357 -1.497 . . . . 0.0 109.357 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.492 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 2.8 m170 -77.55 -175.84 4.0 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.223 -1.163 . . . . 0.0 109.895 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -149.35 -74.6 0.17 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.269 -0.894 . . . . 0.0 109.719 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.45 87.85 0.06 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.614 -0.679 . . . . 0.0 109.929 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.463 ' SG ' ' O ' ' A' ' 2' ' ' CYS . 23.5 m -102.74 -71.33 0.73 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.278 -0.889 . . . . 0.0 110.335 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.76 109.4 21.33 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.296 -0.878 . . . . 0.0 110.421 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.296 0 O-C-N 119.784 -1.823 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 8.7 tt . . . . . 0 N--CA 1.494 1.765 0 CA-C-O 121.258 0.551 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 16.2 p -169.51 118.94 0.65 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.151 -0.968 . . . . 0.0 110.391 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.7 ' O ' HG12 ' A' ' 3' ' ' VAL . 46.5 t -129.72 14.15 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.221 -0.924 . . . . 0.0 110.137 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.557 HG22 ' N ' ' A' ' 5' ' ' GLN . 1.6 p -71.98 168.85 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.906 0 CA-C-O 121.523 0.678 . . . . 0.0 110.735 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.557 ' N ' HG22 ' A' ' 4' ' ' VAL . 65.0 mt-30 38.35 89.69 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.791 0.805 . . . . 0.0 110.394 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -71.23 -17.83 62.48 Favored 'General case' 0 C--N 1.287 -2.125 0 CA-C-O 121.388 0.613 . . . . 0.0 110.238 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.562 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 4.3 p-90 -119.32 -10.84 9.64 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.418 -0.801 . . . . 0.0 110.203 -179.556 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.562 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -119.2 81.46 0.33 Allowed Glycine 0 N--CA 1.483 1.794 0 N-CA-C 108.917 -1.673 . . . . 0.0 108.917 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.499 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 3.7 m170 -77.84 160.49 28.28 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.396 -1.061 . . . . 0.0 111.076 -178.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -120.84 -76.31 0.58 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.568 -0.707 . . . . 0.0 110.075 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.633 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -176.61 111.59 0.09 Allowed 'General case' 0 C--N 1.305 -1.33 0 CA-C-O 122.146 0.974 . . . . 0.0 108.705 179.561 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.7 m -133.63 -172.24 2.92 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.266 -0.896 . . . . 0.0 110.504 -178.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.5 p -114.3 -139.7 0.38 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.122 -0.987 . . . . 0.0 110.46 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 119.881 -1.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.779 ' O ' HG23 ' A' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.696 0.76 . . . . 0.0 110.15 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -153.99 124.88 7.23 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.149 -0.969 . . . . 0.0 110.057 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.641 ' O ' HG12 ' A' ' 3' ' ' VAL . 19.4 t -118.14 9.82 6.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 CA-C-O 121.87 0.843 . . . . 0.0 110.377 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.555 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 1.3 p -65.35 169.96 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 CA-C-O 121.663 0.744 . . . . 0.0 110.434 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.594 ' HG2' ' CH2' ' A' ' 7' ' ' TRP . 18.8 mt-30 47.16 91.7 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.579 0 CA-C-O 121.871 0.843 . . . . 0.0 110.869 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.66 -16.06 60.24 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-O 121.756 0.789 . . . . 0.0 109.354 178.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.604 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 3.5 p-90 -116.87 -13.69 10.69 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 121.723 0.773 . . . . 0.0 109.638 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.604 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -109.3 73.56 0.2 Allowed Glycine 0 N--CA 1.481 1.688 0 N-CA-C 108.799 -1.72 . . . . 0.0 108.799 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.515 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 2.0 m170 -78.29 134.6 37.49 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.47 -1.018 . . . . 0.0 110.475 -179.335 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.523 ' C ' ' HG3' ' A' ' 11' ' ' ARG . 1.5 m-70 -113.02 -109.43 0.36 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.414 -0.804 . . . . 0.0 109.384 179.201 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.523 ' HG3' ' C ' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -153.02 80.31 1.2 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.832 -1.167 . . . . 0.0 109.479 179.149 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.4 m -70.4 -10.22 58.49 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.092 -1.005 . . . . 0.0 110.166 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -139.76 110.25 6.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.207 -0.933 . . . . 0.0 110.164 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 119.848 -1.782 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.478 HD13 ' O ' ' A' ' 1' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.338 0.59 . . . . 0.0 109.904 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.445 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 25.2 p -118.03 109.14 16.09 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.228 -0.92 . . . . 0.0 110.506 179.595 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.51 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 1.0 OUTLIER -136.75 5.57 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 CA-C-O 121.681 0.753 . . . . 0.0 110.014 179.705 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.489 HG12 ' H ' ' A' ' 4' ' ' VAL . 0.8 OUTLIER -65.82 158.04 5.12 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.052 0 CA-C-O 121.871 0.843 . . . . 0.0 110.069 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.578 ' O ' ' CD2' ' A' ' 9' ' ' HIS . 44.9 mt-30 51.79 97.98 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.766 0 CA-C-O 121.793 0.806 . . . . 0.0 110.567 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.07 -21.48 54.34 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-O 121.821 0.819 . . . . 0.0 109.809 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.656 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 4.2 p-90 -111.26 -16.94 13.29 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 121.667 0.746 . . . . 0.0 109.68 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.656 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -106.87 68.32 0.23 Allowed Glycine 0 N--CA 1.487 2.042 0 N-CA-C 109.341 -1.503 . . . . 0.0 109.341 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.578 ' CD2' ' O ' ' A' ' 5' ' ' GLN . 8.6 m-70 -92.14 148.16 22.38 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.437 -1.037 . . . . 0.0 110.895 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.404 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -112.51 -76.4 0.59 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.197 -0.939 . . . . 0.0 109.912 179.877 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.404 ' HB3' ' O ' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -179.55 89.22 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.508 -0.745 . . . . 0.0 110.197 -179.673 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.2 m -72.74 -94.73 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.121 -0.987 . . . . 0.0 109.761 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.7 p -127.11 -14.66 5.43 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.22 -0.925 . . . . 0.0 109.69 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 119.956 -1.715 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.986 HD13 ' O ' ' A' ' 1' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.176 0.512 . . . . 0.0 110.111 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.57 ' O ' HG23 ' A' ' 3' ' ' VAL . 25.1 p -74.57 105.2 5.57 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.018 -1.051 . . . . 0.0 109.997 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.73 ' O ' HG12 ' A' ' 3' ' ' VAL . 50.8 t -156.15 15.26 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 CA-C-O 121.763 0.792 . . . . 0.0 110.738 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.57 HG22 ' N ' ' A' ' 5' ' ' GLN . 2.6 p -57.75 172.67 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.08 0 O-C-N 121.511 -0.743 . . . . 0.0 109.709 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.591 ' OE1' ' CZ3' ' A' ' 7' ' ' TRP . 11.7 mt-30 53.15 94.69 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.391 -0.818 . . . . 0.0 109.737 -178.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -21.15 64.2 Favored 'General case' 0 C--N 1.295 -1.765 0 CA-C-O 121.672 0.749 . . . . 0.0 109.942 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.638 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 4.0 p-90 -113.41 -12.7 12.94 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 121.58 0.705 . . . . 0.0 109.756 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.638 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -104.19 71.32 0.26 Allowed Glycine 0 N--CA 1.485 1.96 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 -179.245 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 62.2 m170 -78.84 139.99 38.26 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.49 -1.006 . . . . 0.0 110.331 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -98.66 -80.66 0.46 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.255 -0.903 . . . . 0.0 109.994 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -171.4 50.3 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.3 -0.875 . . . . 0.0 110.437 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.431 ' SG ' ' O ' ' A' ' 2' ' ' CYS . 87.2 m -88.51 -63.99 1.21 Allowed 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.216 -0.928 . . . . 0.0 110.21 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.52 11.56 16.82 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.424 -0.797 . . . . 0.0 110.317 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.383 0 O-C-N 119.824 -1.798 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.617 HD13 ' O ' ' A' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 121.274 0.559 . . . . 0.0 110.256 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -117.31 116.5 27.35 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.232 -0.917 . . . . 0.0 109.807 179.352 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.625 ' O ' HG12 ' A' ' 3' ' ' VAL . 4.0 t -123.98 14.42 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 CA-C-O 121.904 0.859 . . . . 0.0 109.746 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.483 ' O ' ' O ' ' A' ' 3' ' ' VAL . 0.7 OUTLIER -39.35 162.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.291 -1.949 0 CA-C-O 121.709 0.766 . . . . 0.0 110.493 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.519 ' O ' ' CD2' ' A' ' 9' ' ' HIS . 76.5 mt-30 58.67 103.61 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 121.719 0.771 . . . . 0.0 109.564 -179.175 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -73.95 -22.42 59.66 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-O 121.417 0.627 . . . . 0.0 110.784 -179.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.663 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 6.2 p-90 -115.58 -15.94 11.37 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.39 -0.819 . . . . 0.0 110.691 -178.772 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.663 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -129.43 75.86 0.42 Allowed Glycine 0 N--CA 1.488 2.12 0 C-N-CA 119.725 -1.226 . . . . 0.0 110.208 -178.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.519 ' CD2' ' O ' ' A' ' 5' ' ' GLN . 15.9 m80 -79.67 168.28 19.56 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.121 -1.223 . . . . 0.0 109.379 179.273 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.441 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 6.7 m170 -107.05 -90.82 0.42 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.066 -1.021 . . . . 0.0 110.41 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.442 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -178.32 60.85 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.214 -0.929 . . . . 0.0 110.039 -179.785 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.8 m -72.43 -89.39 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.292 -0.88 . . . . 0.0 110.501 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -88.41 164.66 15.4 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.32 -0.863 . . . . 0.0 110.285 -179.674 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.405 0 O-C-N 119.913 -1.742 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.22 0.533 . . . . 0.0 109.894 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.442 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 1.8 p -90.76 132.32 35.91 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.932 -1.105 . . . . 0.0 110.167 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.663 ' O ' HG12 ' A' ' 3' ' ' VAL . 54.4 t -128.13 13.15 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 CA-C-O 121.931 0.872 . . . . 0.0 109.951 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.566 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 1.3 p -59.64 169.58 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.926 0 CA-C-O 121.839 0.828 . . . . 0.0 111.106 -179.411 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.585 ' HB3' ' CA ' ' A' ' 8' ' ' GLY . 2.7 mt-30 37.89 90.38 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 CA-C-O 121.908 0.861 . . . . 0.0 110.999 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.585 ' OD1' ' CD1' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -45.34 -39.71 7.06 Favored 'General case' 0 N--CA 1.501 2.1 0 CA-C-O 121.53 0.681 . . . . 0.0 110.105 179.619 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.634 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 4.1 p-90 -113.67 -12.32 12.83 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.559 -0.713 . . . . 0.0 110.614 -179.005 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.634 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -93.87 64.1 1.79 Allowed Glycine 0 N--CA 1.485 1.957 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 -179.236 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -78.56 164.13 24.95 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.41 -1.053 . . . . 0.0 109.82 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.545 ' HB3' ' HD3' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -130.54 -82.53 0.54 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.126 -0.984 . . . . 0.0 111.326 -179.059 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.675 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -171.49 45.28 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.09 -1.006 . . . . 0.0 111.394 -179.085 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.469 ' O ' ' OG1' ' A' ' 13' ' ' THR . 79.9 m -67.7 56.09 0.06 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.411 -1.431 . . . . 0.0 110.692 179.321 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.532 HG22 ' N ' ' A' ' 14' ' ' NH2 . 27.4 m -167.73 -89.63 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.132 -0.98 . . . . 0.0 110.239 179.697 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . 0.532 ' N ' HG22 ' A' ' 13' ' ' THR . . . . . . . . 0 C--N 1.304 -1.409 0 O-C-N 119.907 -1.746 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.614 HD13 ' O ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.334 0.588 . . . . 0.0 110.051 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.7 p -121.79 118.22 28.48 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.266 -0.896 . . . . 0.0 110.15 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.675 ' O ' HG12 ' A' ' 3' ' ' VAL . 42.2 t -139.44 10.86 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 CA-C-O 121.863 0.84 . . . . 0.0 110.556 -179.609 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.541 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 1.4 p -62.16 169.94 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.941 0 CA-C-O 121.587 0.708 . . . . 0.0 110.434 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.541 ' N ' ' CG2' ' A' ' 4' ' ' VAL . 6.5 mt-30 43.69 94.28 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 122.164 0.983 . . . . 0.0 109.768 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -75.11 -23.0 57.86 Favored 'General case' 0 C--N 1.289 -2.043 0 CA-C-O 121.464 0.649 . . . . 0.0 110.812 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.571 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 4.0 p-90 -106.18 -7.39 17.91 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.369 -0.832 . . . . 0.0 110.771 -179.275 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.571 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -147.92 93.21 0.15 Allowed Glycine 0 N--CA 1.481 1.691 0 C-N-CA 119.495 -1.336 . . . . 0.0 110.56 -178.576 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -78.39 167.17 21.74 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.395 -1.062 . . . . 0.0 109.683 179.213 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.531 ' HB3' ' HD2' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -110.43 -95.36 0.42 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.087 -1.008 . . . . 0.0 110.53 -179.607 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.597 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -158.53 93.69 1.22 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.994 -1.066 . . . . 0.0 110.03 179.54 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 91.2 m -86.67 -71.01 0.57 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.971 -1.08 . . . . 0.0 110.402 -179.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -155.66 87.53 1.09 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.39 -0.819 . . . . 0.0 110.281 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.405 0 O-C-N 119.835 -1.79 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.83 ' O ' HG23 ' A' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.67 0.748 . . . . 0.0 110.29 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.486 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 22.5 p -116.01 118.04 31.8 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.637 -1.289 . . . . 0.0 110.451 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.497 ' O ' HG12 ' A' ' 3' ' ' VAL . 17.6 t -148.65 13.55 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 120.999 -1.063 . . . . 0.0 110.639 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.509 ' CG2' ' OE1' ' A' ' 5' ' ' GLN . 0.9 OUTLIER -52.8 161.85 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.968 0 CA-C-O 121.608 0.718 . . . . 0.0 110.263 -179.732 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.596 ' O ' ' CD2' ' A' ' 9' ' ' HIS . 0.3 OUTLIER 41.4 96.95 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 121.954 0.883 . . . . 0.0 110.432 -179.833 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.404 ' O ' ' NE2' ' A' ' 9' ' ' HIS . 13.9 m-20 -56.15 -28.46 58.08 Favored 'General case' 0 C--N 1.288 -2.094 0 CA-C-O 121.401 0.619 . . . . 0.0 110.064 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.63 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 4.8 p-90 -115.98 -13.27 11.27 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.327 -0.858 . . . . 0.0 110.622 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.63 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -114.79 70.15 0.25 Allowed Glycine 0 N--CA 1.489 2.188 0 C-N-CA 119.971 -1.109 . . . . 0.0 110.36 -178.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 5' ' ' GLN . 19.8 m170 -79.8 167.54 20.45 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.127 -1.219 . . . . 0.0 109.596 179.375 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.422 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 1.6 t-80 -114.92 -43.49 3.11 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.066 -1.022 . . . . 0.0 110.419 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.422 ' HB3' ' O ' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -179.34 78.56 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.331 -0.856 . . . . 0.0 110.568 -179.885 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.4 m -112.17 150.3 31.01 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.312 -0.868 . . . . 0.0 110.07 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.61 143.82 26.58 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.247 -0.908 . . . . 0.0 110.141 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.382 0 O-C-N 119.873 -1.767 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.757 HD13 ' O ' ' A' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.328 0.585 . . . . 0.0 110.089 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.413 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 24.8 p -84.66 115.67 22.79 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.4 -0.812 . . . . 0.0 111.255 -179.482 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.657 ' O ' HG12 ' A' ' 3' ' ' VAL . 38.6 t -149.11 10.15 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.404 -0.81 . . . . 0.0 110.843 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.552 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 0.7 OUTLIER -56.19 170.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.893 0 O-C-N 121.477 -0.764 . . . . 0.0 110.006 179.742 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.552 ' N ' ' CG2' ' A' ' 4' ' ' VAL . 77.0 mt-30 48.36 98.39 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 121.897 0.856 . . . . 0.0 109.933 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.517 ' O ' ' NE2' ' A' ' 9' ' ' HIS . 4.8 m-20 -75.15 -23.25 57.77 Favored 'General case' 0 C--N 1.289 -2.054 0 CA-C-O 121.329 0.585 . . . . 0.0 110.531 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.657 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 5.9 p-90 -112.78 -15.93 12.85 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.403 -0.81 . . . . 0.0 110.354 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.657 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -116.01 73.21 0.26 Allowed Glycine 0 N--CA 1.487 2.094 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 -179.185 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.517 ' NE2' ' O ' ' A' ' 6' ' ' ASP . 16.1 m170 -79.55 175.32 10.72 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.329 -1.1 . . . . 0.0 110.195 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.03 -86.99 0.38 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.177 -0.952 . . . . 0.0 109.977 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.527 ' O ' ' CG ' ' A' ' 11' ' ' ARG . 1.0 OUTLIER -159.88 94.48 1.13 Allowed 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.063 -1.023 . . . . 0.0 109.267 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.5 m -99.51 -94.36 0.25 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.043 -1.035 . . . . 0.0 110.514 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.7 m -146.62 49.96 1.14 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.131 -0.981 . . . . 0.0 110.089 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.355 0 O-C-N 119.887 -1.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.415 HG23 ' N ' ' A' ' 2' ' ' CYS . 1.3 tt . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 121.198 0.523 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.415 ' N ' HG23 ' A' ' 1' ' ' ILE . 7.0 p -69.45 108.02 3.59 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.279 -0.888 . . . . 0.0 110.371 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.674 ' O ' HG12 ' A' ' 3' ' ' VAL . 42.9 t -129.92 8.5 2.32 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 121.444 -0.785 . . . . 0.0 110.293 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.551 HG22 ' HG3' ' A' ' 5' ' ' GLN . 1.3 p -60.26 164.77 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.928 0 C-N-CA 119.935 -0.706 . . . . 0.0 109.77 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.551 ' HG3' HG22 ' A' ' 4' ' ' VAL . 26.8 mt-30 46.0 95.47 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.619 0 CA-C-O 121.746 0.784 . . . . 0.0 109.665 -179.066 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.11 -21.23 30.61 Favored 'General case' 0 C--N 1.291 -1.959 0 CA-C-O 121.76 0.791 . . . . 0.0 109.909 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.648 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 5.7 p-90 -117.13 -16.46 10.42 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 121.538 0.685 . . . . 0.0 109.924 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.648 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -78.38 52.78 3.83 Favored Glycine 0 N--CA 1.488 2.102 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -179.575 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -85.85 106.3 16.97 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.284 -1.127 . . . . 0.0 109.654 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -110.14 -46.02 3.51 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.205 -0.934 . . . . 0.0 111.282 -179.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.606 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -165.78 100.71 0.67 Allowed 'General case' 0 C--N 1.303 -1.418 0 O-C-N 120.944 -1.097 . . . . 0.0 109.964 -179.087 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 m -125.9 -95.6 0.45 Allowed 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.015 -1.053 . . . . 0.0 109.902 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.607 ' HG1' ' N ' ' A' ' 14' ' ' NH2 . 1.2 t -133.66 166.88 21.59 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.039 -1.038 . . . . 0.0 110.025 179.647 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . 0.607 ' N ' ' HG1' ' A' ' 13' ' ' THR . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 119.839 -1.788 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.509 ' O ' HG23 ' A' ' 1' ' ' ILE . 1.5 tt . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.44 0.638 . . . . 0.0 109.845 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.6 p -129.57 113.59 15.02 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.265 -0.897 . . . . 0.0 110.304 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.66 ' O ' HG12 ' A' ' 3' ' ' VAL . 23.1 t -134.92 10.97 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 CA-C-O 121.893 0.854 . . . . 0.0 109.876 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.576 HG22 ' N ' ' A' ' 5' ' ' GLN . 2.3 p -57.51 172.81 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.948 0 O-C-N 121.741 -0.599 . . . . 0.0 109.669 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.576 ' N ' HG22 ' A' ' 4' ' ' VAL . 41.1 mt-30 52.31 93.67 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.314 -0.866 . . . . 0.0 108.939 -178.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -72.8 -22.27 60.85 Favored 'General case' 0 C--N 1.289 -2.044 0 CA-C-O 121.4 0.619 . . . . 0.0 110.42 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.677 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 5.9 p-90 -118.05 -13.95 9.97 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.528 -0.732 . . . . 0.0 110.777 -179.076 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.677 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -121.84 72.94 0.37 Allowed Glycine 0 N--CA 1.489 2.191 0 N-CA-C 110.149 -1.18 . . . . 0.0 110.149 -178.255 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.499 ' CD2' ' O ' ' A' ' 5' ' ' GLN . 29.0 m-70 -84.26 -173.14 4.55 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.213 -1.169 . . . . 0.0 109.946 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -140.22 -80.24 0.28 Allowed 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.339 -0.851 . . . . 0.0 110.159 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.2 ptt-85 -162.8 77.02 0.45 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.279 -0.888 . . . . 0.0 110.232 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.9 m -99.62 -84.02 0.42 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.287 -0.883 . . . . 0.0 109.99 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.535 HG22 ' O ' ' A' ' 13' ' ' THR . 91.5 m -125.39 61.15 1.22 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.272 -0.893 . . . . 0.0 110.462 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.404 0 O-C-N 119.867 -1.77 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 4.3 tt . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.326 0.584 . . . . 0.0 110.106 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.73 111.14 16.36 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.339 -0.851 . . . . 0.0 109.66 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.601 ' O ' HG12 ' A' ' 3' ' ' VAL . 9.1 t -115.79 8.25 7.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 CA-C-O 121.872 0.844 . . . . 0.0 110.197 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.478 ' O ' ' O ' ' A' ' 5' ' ' GLN . 0.2 OUTLIER -55.25 151.26 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.123 0 C-N-CA 119.598 -0.841 . . . . 0.0 109.8 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.61 ' HG3' ' CZ2' ' A' ' 7' ' ' TRP . 0.8 OUTLIER 39.48 93.69 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 122.081 0.943 . . . . 0.0 109.97 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.02 -44.06 97.97 Favored 'General case' 0 C--N 1.291 -1.978 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.71 -179.447 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.656 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 5.7 p-90 -79.69 -15.85 56.78 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.448 -0.782 . . . . 0.0 110.015 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.656 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -115.24 70.39 0.26 Allowed Glycine 0 N--CA 1.486 2.009 0 N-CA-C 109.972 -1.251 . . . . 0.0 109.972 -179.288 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -96.32 162.0 13.69 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.332 -1.099 . . . . 0.0 109.905 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.449 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 72.7 m-70 -109.3 -84.44 0.55 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.127 -0.983 . . . . 0.0 110.057 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.449 ' HB3' ' O ' ' A' ' 10' ' ' HIS . 17.0 ptt85 179.44 66.06 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.26 -0.9 . . . . 0.0 109.785 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 68.0 m -72.28 -172.78 0.97 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.28 -0.887 . . . . 0.0 110.401 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.5 m -99.57 38.54 1.42 Allowed 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.391 -0.818 . . . . 0.0 109.984 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.277 0 O-C-N 119.872 -1.768 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.539 ' O ' ' CD1' ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 121.513 0.673 . . . . 0.0 109.935 . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.465 ' C ' HG23 ' A' ' 3' ' ' VAL . 11.7 p -135.08 119.4 17.82 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.251 -0.906 . . . . 0.0 109.554 179.32 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.65 ' O ' HG12 ' A' ' 3' ' ' VAL . 90.2 t -148.01 16.41 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.289 -0.882 . . . . 0.0 110.377 -179.486 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.54 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 1.0 OUTLIER -43.21 169.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.29 -2.0 0 CA-C-O 121.653 0.74 . . . . 0.0 110.478 179.858 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.54 ' N ' ' CG2' ' A' ' 4' ' ' VAL . 12.4 mt-30 49.98 95.89 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.825 0.821 . . . . 0.0 110.077 -179.603 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -80.79 -20.92 41.5 Favored 'General case' 0 C--N 1.293 -1.872 0 CA-C-O 121.762 0.791 . . . . 0.0 109.733 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -101.55 -13.15 18.0 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-O 121.631 0.729 . . . . 0.0 109.34 179.502 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.445 ' O ' ' HB3' ' A' ' 5' ' ' GLN . . . -139.42 83.22 0.24 Allowed Glycine 0 N--CA 1.48 1.607 0 N-CA-C 109.842 -1.303 . . . . 0.0 109.842 -179.292 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.427 ' CD2' ' O ' ' A' ' 5' ' ' GLN . 21.8 m170 -79.95 139.72 36.94 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.236 -1.155 . . . . 0.0 110.546 -179.917 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.443 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -83.59 -80.28 0.19 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.292 -0.88 . . . . 0.0 110.327 -179.847 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.443 ' HB3' ' O ' ' A' ' 10' ' ' HIS . 10.5 ptt85 177.92 69.43 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.208 -0.933 . . . . 0.0 110.562 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.446 ' SG ' ' O ' ' A' ' 2' ' ' CYS . 6.9 m -77.13 -79.32 0.11 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.186 -0.946 . . . . 0.0 110.023 179.603 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -114.06 140.4 48.49 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.306 -0.871 . . . . 0.0 110.168 179.911 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 119.727 -1.858 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.362 0.601 . . . . 0.0 110.051 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.658 ' O ' HG12 ' A' ' 3' ' ' VAL . 25.2 t -141.74 9.76 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.341 -0.85 . . . . 0.0 110.396 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.486 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 0.9 OUTLIER -67.18 164.81 2.18 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.034 0 CA-C-O 121.618 0.723 . . . . 0.0 109.949 179.927 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.542 ' HG2' ' CZ2' ' A' ' 7' ' ' TRP . 6.7 mt-30 47.93 95.84 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.682 0 CA-C-O 121.97 0.891 . . . . 0.0 109.969 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -76.76 -40.91 46.81 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-O 121.533 0.682 . . . . 0.0 110.571 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.656 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 6.8 p-90 -78.73 -14.89 59.05 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.223 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.656 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -136.63 82.9 0.27 Allowed Glycine 0 N--CA 1.487 2.073 0 N-CA-C 110.046 -1.221 . . . . 0.0 110.046 -179.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -83.13 -175.83 6.03 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.369 -1.077 . . . . 0.0 109.489 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.442 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 37.9 m-70 -125.73 -82.77 0.63 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.065 -1.022 . . . . 0.0 110.291 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.534 ' O ' ' CG ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -178.14 74.98 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.969 -1.082 . . . . 0.0 110.059 179.689 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 87.8 m . . . . . 0 N--CA 1.491 1.582 0 O-C-N 121.198 -0.938 . . . . 0.0 110.074 -179.892 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.524 0.678 . . . . 0.0 110.064 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.662 ' O ' HG12 ' A' ' 3' ' ' VAL . 50.2 t -132.55 9.83 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 CA-C-O 121.777 0.799 . . . . 0.0 109.84 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.563 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 1.3 p -55.41 170.57 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.293 -1.891 0 CA-C-O 121.513 0.673 . . . . 0.0 110.073 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.563 ' N ' ' CG2' ' A' ' 4' ' ' VAL . 19.7 mt-30 48.36 96.38 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.634 0 CA-C-O 121.694 0.759 . . . . 0.0 109.645 -179.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.5 -22.95 66.78 Favored 'General case' 0 C--N 1.292 -1.907 0 CA-C-O 121.514 0.673 . . . . 0.0 110.039 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.52 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 4.5 p-90 -112.59 -19.03 12.24 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.618 -0.676 . . . . 0.0 109.936 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.52 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -92.87 58.29 2.5 Favored Glycine 0 N--CA 1.485 1.91 0 N-CA-C 109.753 -1.339 . . . . 0.0 109.753 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 57.5 m170 -79.8 127.7 32.54 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.127 -1.219 . . . . 0.0 110.593 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.462 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 90.8 m-70 -100.74 -92.47 0.3 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.261 -0.899 . . . . 0.0 110.221 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.473 ' O ' ' CG ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -179.42 82.84 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.271 -0.893 . . . . 0.0 109.923 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 92.6 m . . . . . 0 N--CA 1.49 1.556 0 O-C-N 121.193 -0.942 . . . . 0.0 110.198 -179.864 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.54 0.686 . . . . 0.0 110.072 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.525 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 1.2 t -124.3 10.11 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.449 -0.782 . . . . 0.0 110.188 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.502 ' O ' ' O ' ' A' ' 5' ' ' GLN . 0.1 OUTLIER -33.93 150.64 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 CA-C-O 121.488 0.661 . . . . 0.0 110.453 -179.653 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.521 ' CB ' ' HA3' ' A' ' 8' ' ' GLY . 92.2 mt-30 42.56 97.91 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.575 0 CA-C-O 122.269 1.033 . . . . 0.0 109.49 -178.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 5' ' ' GLN . 0.7 OUTLIER -42.12 -28.5 0.19 Allowed 'General case' 0 C--N 1.294 -1.839 0 CA-C-O 121.549 0.69 . . . . 0.0 109.813 -179.606 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.638 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 5.2 p-90 -121.66 -13.59 8.31 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-O 121.544 0.688 . . . . 0.0 110.156 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.638 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -81.06 56.68 4.85 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 -179.239 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -79.66 95.0 5.8 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.264 -1.139 . . . . 0.0 109.372 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -91.86 -57.71 2.65 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.292 -0.88 . . . . 0.0 111.949 -178.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.426 ' O ' ' CG ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -143.65 85.47 1.83 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.028 -1.045 . . . . 0.0 111.192 -178.841 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.531 -0.731 . . . . 0.0 110.094 179.329 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.45 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 26.7 p . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 121.457 0.646 . . . . 0.0 110.047 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.679 ' O ' HG12 ' A' ' 3' ' ' VAL . 41.1 t -147.18 11.79 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 CA-C-O 121.814 0.816 . . . . 0.0 110.383 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.7 HG22 ' H ' ' A' ' 5' ' ' GLN . 6.3 p -81.49 -176.87 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.289 -2.053 0 O-C-N 121.699 -0.626 . . . . 0.0 109.42 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.7 ' H ' HG22 ' A' ' 4' ' ' VAL . 0.5 OUTLIER 40.19 45.83 1.8 Allowed 'General case' 0 C--N 1.297 -1.715 0 CA-C-O 121.78 0.8 . . . . 0.0 109.756 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.505 ' O ' ' NE2' ' A' ' 9' ' ' HIS . 35.7 m-20 -40.42 -26.08 0.03 OUTLIER 'General case' 0 C--N 1.293 -1.877 0 O-C-N 121.632 -0.667 . . . . 0.0 110.723 -179.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.599 ' CH2' ' HG3' ' A' ' 5' ' ' GLN . 2.4 p-90 -102.36 -11.83 18.36 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.187 -0.946 . . . . 0.0 110.367 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.598 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -127.06 78.39 0.38 Allowed Glycine 0 N--CA 1.484 1.872 0 N-CA-C 110.013 -1.235 . . . . 0.0 110.013 -179.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.505 ' NE2' ' O ' ' A' ' 6' ' ' ASP . 45.0 m170 -77.68 158.63 29.6 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.174 -1.192 . . . . 0.0 110.382 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -117.2 -69.43 0.85 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.277 -0.889 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -179.1 89.13 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.509 -0.745 . . . . 0.0 110.111 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.1 m . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.309 -0.869 . . . . 0.0 110.251 -179.877 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.474 ' C ' HG23 ' A' ' 3' ' ' VAL . 8.4 p . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.479 0.657 . . . . 0.0 109.982 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.656 ' O ' HG12 ' A' ' 3' ' ' VAL . 94.4 t -150.12 14.79 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.138 -0.976 . . . . 0.0 110.302 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.82 HG22 ' HG3' ' A' ' 5' ' ' GLN . 0.6 OUTLIER -59.2 154.83 3.08 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.001 0 CA-C-O 121.651 0.739 . . . . 0.0 110.039 -179.828 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.82 ' HG3' HG22 ' A' ' 4' ' ' VAL . 2.7 mt-30 48.45 95.8 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 121.805 0.812 . . . . 0.0 110.014 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.406 ' O ' ' NE2' ' A' ' 9' ' ' HIS . 6.8 m-20 -61.47 -21.4 64.14 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-O 121.52 0.676 . . . . 0.0 109.763 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.62 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 6.4 p-90 -118.97 -15.42 9.31 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.559 0.695 . . . . 0.0 110.295 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.62 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -92.59 65.61 2.07 Favored Glycine 0 N--CA 1.486 2.01 0 N-CA-C 109.807 -1.317 . . . . 0.0 109.807 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.406 ' NE2' ' O ' ' A' ' 6' ' ' ASP . 15.0 m170 -79.09 126.57 30.88 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.465 -1.021 . . . . 0.0 110.489 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.46 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -98.07 -74.84 0.57 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.413 -0.804 . . . . 0.0 110.606 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.46 ' HB3' ' O ' ' A' ' 10' ' ' HIS . 0.1 OUTLIER -178.39 65.62 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.106 -0.996 . . . . 0.0 111.041 -179.701 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.495 1.822 0 O-C-N 120.98 -1.075 . . . . 0.0 110.457 179.233 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.144 0.497 . . . . 0.0 110.143 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.63 ' O ' HG12 ' A' ' 3' ' ' VAL . 36.6 t -110.42 9.13 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.257 -0.902 . . . . 0.0 110.657 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.585 HG22 ' N ' ' A' ' 5' ' ' GLN . 1.9 p -97.96 171.6 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.293 -1.885 0 CA-C-O 121.465 0.65 . . . . 0.0 110.023 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.588 ' HG3' ' CH2' ' A' ' 7' ' ' TRP . 0.0 OUTLIER 64.69 35.59 8.8 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-O 121.913 0.863 . . . . 0.0 109.638 179.619 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -43.52 -30.47 0.58 Allowed 'General case' 0 C--N 1.293 -1.876 0 CA-C-O 121.476 0.655 . . . . 0.0 110.105 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.62 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 3.3 p-90 -94.89 -13.99 24.94 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.467 -0.771 . . . . 0.0 110.017 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.62 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -125.97 77.34 0.39 Allowed Glycine 0 N--CA 1.482 1.754 0 N-CA-C 108.971 -1.651 . . . . 0.0 108.971 -179.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -77.45 166.41 23.14 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.162 -1.199 . . . . 0.0 110.78 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -132.76 -92.99 0.36 Allowed 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.712 -0.617 . . . . 0.0 109.65 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 ptt85 -176.28 54.57 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.153 -0.967 . . . . 0.0 110.143 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 67.7 m . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.278 -0.889 . . . . 0.0 110.07 179.804 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.7 p . . . . . 0 N--CA 1.494 1.757 0 CA-C-O 121.216 0.532 . . . . 0.0 110.116 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.692 ' O ' HG12 ' A' ' 3' ' ' VAL . 55.5 t -142.62 11.34 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.29 -0.881 . . . . 0.0 110.671 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.495 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 0.7 OUTLIER -56.64 165.43 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.289 -2.034 0 CA-C-O 121.644 0.735 . . . . 0.0 110.419 -179.752 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.495 ' N ' ' CG2' ' A' ' 4' ' ' VAL . 40.8 mt-30 43.6 97.71 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 122.015 0.912 . . . . 0.0 110.101 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.31 -42.81 92.65 Favored 'General case' 0 C--N 1.292 -1.897 0 CA-C-O 121.572 0.701 . . . . 0.0 110.112 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.587 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 8.6 p-90 -93.16 -16.3 25.02 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-O 121.577 0.703 . . . . 0.0 109.902 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.587 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -114.26 71.55 0.24 Allowed Glycine 0 N--CA 1.488 2.103 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -79.07 -176.28 5.01 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.335 -1.097 . . . . 0.0 109.85 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -124.92 -100.07 0.4 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.157 -0.965 . . . . 0.0 110.422 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -156.35 60.59 0.56 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.924 -1.11 . . . . 0.0 110.276 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 86.4 m . . . . . 0 N--CA 1.49 1.556 0 O-C-N 121.371 -0.83 . . . . 0.0 110.076 179.778 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.463 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 1.6 p . . . . . 0 N--CA 1.496 1.871 0 CA-C-O 121.773 0.797 . . . . 0.0 110.518 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.663 ' O ' HG12 ' A' ' 3' ' ' VAL . 42.0 t -120.08 10.98 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 CA-C-O 122.041 0.924 . . . . 0.0 109.825 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.542 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 1.2 p -55.8 170.93 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 CA-C-O 121.697 0.76 . . . . 0.0 110.457 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.542 ' N ' ' CG2' ' A' ' 4' ' ' VAL . 37.7 mt-30 42.41 93.81 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.479 0 CA-C-O 121.672 0.748 . . . . 0.0 110.368 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.74 -18.6 58.38 Favored 'General case' 0 C--N 1.291 -1.952 0 CA-C-O 121.793 0.806 . . . . 0.0 109.697 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 2.1 p-90 -112.66 -12.98 13.33 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-O 121.598 0.713 . . . . 0.0 109.781 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.493 ' O ' ' HB3' ' A' ' 5' ' ' GLN . . . -125.27 77.96 0.38 Allowed Glycine 0 N--CA 1.48 1.603 0 N-CA-C 109.357 -1.497 . . . . 0.0 109.357 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.492 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 2.8 m170 -77.55 -175.84 4.0 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.223 -1.163 . . . . 0.0 109.895 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -149.35 -74.6 0.17 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.269 -0.894 . . . . 0.0 109.719 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.45 87.85 0.06 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.614 -0.679 . . . . 0.0 109.929 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.463 ' SG ' ' O ' ' A' ' 2' ' ' CYS . 23.5 m . . . . . 0 N--CA 1.49 1.528 0 O-C-N 121.278 -0.889 . . . . 0.0 110.335 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 16.2 p . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 121.251 0.548 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.7 ' O ' HG12 ' A' ' 3' ' ' VAL . 46.5 t -129.72 14.15 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.221 -0.924 . . . . 0.0 110.137 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.557 HG22 ' N ' ' A' ' 5' ' ' GLN . 1.6 p -71.98 168.85 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.906 0 CA-C-O 121.523 0.678 . . . . 0.0 110.735 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.557 ' N ' HG22 ' A' ' 4' ' ' VAL . 65.0 mt-30 38.35 89.69 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.791 0.805 . . . . 0.0 110.394 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -71.23 -17.83 62.48 Favored 'General case' 0 C--N 1.287 -2.125 0 CA-C-O 121.388 0.613 . . . . 0.0 110.238 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.562 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 4.3 p-90 -119.32 -10.84 9.64 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.418 -0.801 . . . . 0.0 110.203 -179.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.562 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -119.2 81.46 0.33 Allowed Glycine 0 N--CA 1.483 1.794 0 N-CA-C 108.917 -1.673 . . . . 0.0 108.917 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.499 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 3.7 m170 -77.84 160.49 28.28 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.396 -1.061 . . . . 0.0 111.076 -178.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -120.84 -76.31 0.58 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.568 -0.707 . . . . 0.0 110.075 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.633 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -176.61 111.59 0.09 Allowed 'General case' 0 C--N 1.305 -1.33 0 CA-C-O 122.146 0.974 . . . . 0.0 108.705 179.561 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.489 1.509 0 O-C-N 121.266 -0.896 . . . . 0.0 110.504 -178.504 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.729 0 CA-C-O 121.336 0.589 . . . . 0.0 110.057 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.641 ' O ' HG12 ' A' ' 3' ' ' VAL . 19.4 t -118.14 9.82 6.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 CA-C-O 121.87 0.843 . . . . 0.0 110.377 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.555 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 1.3 p -65.35 169.96 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 CA-C-O 121.663 0.744 . . . . 0.0 110.434 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.594 ' HG2' ' CH2' ' A' ' 7' ' ' TRP . 18.8 mt-30 47.16 91.7 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.579 0 CA-C-O 121.871 0.843 . . . . 0.0 110.869 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.66 -16.06 60.24 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-O 121.756 0.789 . . . . 0.0 109.354 178.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.604 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 3.5 p-90 -116.87 -13.69 10.69 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 121.723 0.773 . . . . 0.0 109.638 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.604 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -109.3 73.56 0.2 Allowed Glycine 0 N--CA 1.481 1.688 0 N-CA-C 108.799 -1.72 . . . . 0.0 108.799 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.515 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 2.0 m170 -78.29 134.6 37.49 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.47 -1.018 . . . . 0.0 110.475 -179.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.523 ' C ' ' HG3' ' A' ' 11' ' ' ARG . 33.5 m170 -113.02 -109.43 0.36 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.414 -0.804 . . . . 0.0 109.384 179.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.523 ' HG3' ' C ' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -153.02 80.31 1.2 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.832 -1.167 . . . . 0.0 109.479 179.149 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.4 m . . . . . 0 N--CA 1.492 1.66 0 O-C-N 121.092 -1.005 . . . . 0.0 110.166 -179.922 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.445 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 25.2 p . . . . . 0 N--CA 1.489 1.518 0 CA-C-O 121.65 0.738 . . . . 0.0 110.506 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.51 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 1.0 OUTLIER -136.75 5.57 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 CA-C-O 121.681 0.753 . . . . 0.0 110.014 179.705 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.489 HG12 ' H ' ' A' ' 4' ' ' VAL . 0.8 OUTLIER -65.82 158.04 5.12 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.052 0 CA-C-O 121.871 0.843 . . . . 0.0 110.069 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.578 ' O ' ' CD2' ' A' ' 9' ' ' HIS . 44.9 mt-30 51.79 97.98 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.766 0 CA-C-O 121.793 0.806 . . . . 0.0 110.567 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.07 -21.48 54.34 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-O 121.821 0.819 . . . . 0.0 109.809 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.656 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 4.2 p-90 -111.26 -16.94 13.29 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 121.667 0.746 . . . . 0.0 109.68 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.656 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -106.87 68.32 0.23 Allowed Glycine 0 N--CA 1.487 2.042 0 N-CA-C 109.341 -1.503 . . . . 0.0 109.341 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.578 ' CD2' ' O ' ' A' ' 5' ' ' GLN . 8.6 m-70 -92.14 148.16 22.38 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.437 -1.037 . . . . 0.0 110.895 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.404 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -112.51 -76.4 0.59 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.197 -0.939 . . . . 0.0 109.912 179.877 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.404 ' HB3' ' O ' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -179.55 89.22 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.508 -0.745 . . . . 0.0 110.197 -179.673 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.2 m . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.121 -0.987 . . . . 0.0 109.761 179.812 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.57 ' O ' HG23 ' A' ' 3' ' ' VAL . 25.1 p . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.566 0.698 . . . . 0.0 109.997 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.73 ' O ' HG12 ' A' ' 3' ' ' VAL . 50.8 t -156.15 15.26 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 CA-C-O 121.763 0.792 . . . . 0.0 110.738 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.57 HG22 ' N ' ' A' ' 5' ' ' GLN . 2.6 p -57.75 172.67 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.08 0 O-C-N 121.511 -0.743 . . . . 0.0 109.709 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.591 ' OE1' ' CZ3' ' A' ' 7' ' ' TRP . 11.7 mt-30 53.15 94.69 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.391 -0.818 . . . . 0.0 109.737 -178.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -21.15 64.2 Favored 'General case' 0 C--N 1.295 -1.765 0 CA-C-O 121.672 0.749 . . . . 0.0 109.942 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.638 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 4.0 p-90 -113.41 -12.7 12.94 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 121.58 0.705 . . . . 0.0 109.756 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.638 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -104.19 71.32 0.26 Allowed Glycine 0 N--CA 1.485 1.96 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 -179.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 62.2 m170 -78.84 139.99 38.26 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.49 -1.006 . . . . 0.0 110.331 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -98.66 -80.66 0.46 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.255 -0.903 . . . . 0.0 109.994 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -171.4 50.3 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.3 -0.875 . . . . 0.0 110.437 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.431 ' SG ' ' O ' ' A' ' 2' ' ' CYS . 87.2 m . . . . . 0 N--CA 1.489 1.478 0 O-C-N 121.216 -0.928 . . . . 0.0 110.21 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.497 1.925 0 CA-C-O 121.37 0.605 . . . . 0.0 109.807 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.625 ' O ' HG12 ' A' ' 3' ' ' VAL . 4.0 t -123.98 14.42 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 CA-C-O 121.904 0.859 . . . . 0.0 109.746 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.483 ' O ' ' O ' ' A' ' 3' ' ' VAL . 0.7 OUTLIER -39.35 162.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.291 -1.949 0 CA-C-O 121.709 0.766 . . . . 0.0 110.493 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.519 ' O ' ' CD2' ' A' ' 9' ' ' HIS . 76.5 mt-30 58.67 103.61 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 121.719 0.771 . . . . 0.0 109.564 -179.175 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -73.95 -22.42 59.66 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-O 121.417 0.627 . . . . 0.0 110.784 -179.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.663 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 6.2 p-90 -115.58 -15.94 11.37 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.39 -0.819 . . . . 0.0 110.691 -178.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.663 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -129.43 75.86 0.42 Allowed Glycine 0 N--CA 1.488 2.12 0 C-N-CA 119.725 -1.226 . . . . 0.0 110.208 -178.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.519 ' CD2' ' O ' ' A' ' 5' ' ' GLN . 15.9 m80 -79.67 168.28 19.56 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.121 -1.223 . . . . 0.0 109.379 179.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.441 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 6.7 m170 -107.05 -90.82 0.42 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.066 -1.021 . . . . 0.0 110.41 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.442 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -178.32 60.85 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.214 -0.929 . . . . 0.0 110.039 -179.785 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.492 1.671 0 O-C-N 121.292 -0.88 . . . . 0.0 110.501 -179.707 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.442 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 1.8 p . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.385 0.612 . . . . 0.0 110.167 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.663 ' O ' HG12 ' A' ' 3' ' ' VAL . 54.4 t -128.13 13.15 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 CA-C-O 121.931 0.872 . . . . 0.0 109.951 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.566 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 1.3 p -59.64 169.58 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.926 0 CA-C-O 121.839 0.828 . . . . 0.0 111.106 -179.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.585 ' HB3' ' CA ' ' A' ' 8' ' ' GLY . 3.5 mt-30 37.89 90.38 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 CA-C-O 121.908 0.861 . . . . 0.0 110.999 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.585 ' OD1' ' CD1' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -45.34 -39.71 7.06 Favored 'General case' 0 N--CA 1.501 2.1 0 CA-C-O 121.53 0.681 . . . . 0.0 110.105 179.619 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.634 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 4.1 p-90 -113.67 -12.32 12.83 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.559 -0.713 . . . . 0.0 110.614 -179.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.634 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -93.87 64.1 1.79 Allowed Glycine 0 N--CA 1.485 1.957 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 -179.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -78.56 164.13 24.95 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.41 -1.053 . . . . 0.0 109.82 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.545 ' HB3' ' HD3' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -130.54 -82.53 0.54 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.126 -0.984 . . . . 0.0 111.326 -179.059 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.675 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -171.49 45.28 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.09 -1.006 . . . . 0.0 111.394 -179.085 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 79.9 m . . . . . 0 N--CA 1.494 1.766 0 O-C-N 120.411 -1.431 . . . . 0.0 110.692 179.321 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.7 p . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.356 0.598 . . . . 0.0 110.15 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.675 ' O ' HG12 ' A' ' 3' ' ' VAL . 42.2 t -139.44 10.86 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 CA-C-O 121.863 0.84 . . . . 0.0 110.556 -179.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.541 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 1.4 p -62.16 169.94 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.941 0 CA-C-O 121.587 0.708 . . . . 0.0 110.434 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.541 ' N ' ' CG2' ' A' ' 4' ' ' VAL . 14.6 mt-30 43.69 94.28 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 122.164 0.983 . . . . 0.0 109.768 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -75.11 -23.0 57.86 Favored 'General case' 0 C--N 1.289 -2.043 0 CA-C-O 121.464 0.649 . . . . 0.0 110.812 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.571 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 4.0 p-90 -106.18 -7.39 17.91 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.369 -0.832 . . . . 0.0 110.771 -179.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.571 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -147.92 93.21 0.15 Allowed Glycine 0 N--CA 1.481 1.691 0 C-N-CA 119.495 -1.336 . . . . 0.0 110.56 -178.576 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.447 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 26.0 m170 -78.39 167.17 21.74 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.395 -1.062 . . . . 0.0 109.683 179.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.531 ' HB3' ' HD2' ' A' ' 11' ' ' ARG . 3.3 m170 -110.43 -95.36 0.42 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.087 -1.008 . . . . 0.0 110.53 -179.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.597 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -158.53 93.69 1.22 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.994 -1.066 . . . . 0.0 110.03 179.54 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 91.2 m . . . . . 0 N--CA 1.491 1.585 0 O-C-N 120.971 -1.08 . . . . 0.0 110.402 -179.431 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.486 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 22.5 p . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.594 0.712 . . . . 0.0 110.451 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.497 ' O ' HG12 ' A' ' 3' ' ' VAL . 17.6 t -148.65 13.55 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 120.999 -1.063 . . . . 0.0 110.639 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.509 ' CG2' ' OE1' ' A' ' 5' ' ' GLN . 0.9 OUTLIER -52.8 161.85 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.968 0 CA-C-O 121.608 0.718 . . . . 0.0 110.263 -179.732 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.596 ' O ' ' CD2' ' A' ' 9' ' ' HIS . 0.3 OUTLIER 41.4 96.95 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 121.954 0.883 . . . . 0.0 110.432 -179.833 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.404 ' O ' ' NE2' ' A' ' 9' ' ' HIS . 13.9 m-20 -56.15 -28.46 58.08 Favored 'General case' 0 C--N 1.288 -2.094 0 CA-C-O 121.401 0.619 . . . . 0.0 110.064 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.63 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 4.8 p-90 -115.98 -13.27 11.27 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.327 -0.858 . . . . 0.0 110.622 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.63 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -114.79 70.15 0.25 Allowed Glycine 0 N--CA 1.489 2.188 0 C-N-CA 119.971 -1.109 . . . . 0.0 110.36 -178.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 5' ' ' GLN . 19.8 m170 -79.8 167.54 20.45 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.127 -1.219 . . . . 0.0 109.596 179.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.422 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 1.6 t-80 -114.92 -43.49 3.11 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.066 -1.022 . . . . 0.0 110.419 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.422 ' HB3' ' O ' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -179.34 78.56 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.331 -0.856 . . . . 0.0 110.568 -179.885 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.4 m . . . . . 0 N--CA 1.488 1.439 0 O-C-N 121.312 -0.868 . . . . 0.0 110.07 179.837 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.413 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 24.8 p . . . . . 0 N--CA 1.494 1.729 0 CA-C-O 121.292 0.568 . . . . 0.0 111.255 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.657 ' O ' HG12 ' A' ' 3' ' ' VAL . 38.6 t -149.11 10.15 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.404 -0.81 . . . . 0.0 110.843 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.552 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 0.7 OUTLIER -56.19 170.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.893 0 O-C-N 121.477 -0.764 . . . . 0.0 110.006 179.742 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.552 ' N ' ' CG2' ' A' ' 4' ' ' VAL . 77.0 mt-30 48.36 98.39 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 121.897 0.856 . . . . 0.0 109.933 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.517 ' O ' ' NE2' ' A' ' 9' ' ' HIS . 4.8 m-20 -75.15 -23.25 57.77 Favored 'General case' 0 C--N 1.289 -2.054 0 CA-C-O 121.329 0.585 . . . . 0.0 110.531 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.657 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 5.9 p-90 -112.78 -15.93 12.85 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.403 -0.81 . . . . 0.0 110.354 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.657 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -116.01 73.21 0.26 Allowed Glycine 0 N--CA 1.487 2.094 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 -179.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.517 ' NE2' ' O ' ' A' ' 6' ' ' ASP . 16.1 m170 -79.55 175.32 10.72 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.329 -1.1 . . . . 0.0 110.195 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.03 -86.99 0.38 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.177 -0.952 . . . . 0.0 109.977 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.527 ' O ' ' CG ' ' A' ' 11' ' ' ARG . 1.0 OUTLIER -159.88 94.48 1.13 Allowed 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.063 -1.023 . . . . 0.0 109.267 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.494 1.728 0 O-C-N 121.043 -1.035 . . . . 0.0 110.514 -179.308 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.0 p . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 121.418 0.628 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.674 ' O ' HG12 ' A' ' 3' ' ' VAL . 42.9 t -129.92 8.5 2.32 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 121.444 -0.785 . . . . 0.0 110.293 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.551 HG22 ' HG3' ' A' ' 5' ' ' GLN . 1.3 p -60.26 164.77 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.928 0 C-N-CA 119.935 -0.706 . . . . 0.0 109.77 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.551 ' HG3' HG22 ' A' ' 4' ' ' VAL . 26.8 mt-30 46.0 95.47 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.619 0 CA-C-O 121.746 0.784 . . . . 0.0 109.665 -179.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.11 -21.23 30.61 Favored 'General case' 0 C--N 1.291 -1.959 0 CA-C-O 121.76 0.791 . . . . 0.0 109.909 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.648 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 5.7 p-90 -117.13 -16.46 10.42 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 121.538 0.685 . . . . 0.0 109.924 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.648 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -78.38 52.78 3.83 Favored Glycine 0 N--CA 1.488 2.102 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -179.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -85.85 106.3 16.97 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.284 -1.127 . . . . 0.0 109.654 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -110.14 -46.02 3.51 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.205 -0.934 . . . . 0.0 111.282 -179.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.606 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -165.78 100.71 0.67 Allowed 'General case' 0 C--N 1.303 -1.418 0 O-C-N 120.944 -1.097 . . . . 0.0 109.964 -179.087 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.3 -1.577 0 O-C-N 121.015 -1.053 . . . . 0.0 109.902 179.442 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 121.364 0.602 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.66 ' O ' HG12 ' A' ' 3' ' ' VAL . 23.1 t -134.92 10.97 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 CA-C-O 121.893 0.854 . . . . 0.0 109.876 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.576 HG22 ' N ' ' A' ' 5' ' ' GLN . 2.3 p -57.51 172.81 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.948 0 O-C-N 121.741 -0.599 . . . . 0.0 109.669 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.576 ' N ' HG22 ' A' ' 4' ' ' VAL . 41.1 mt-30 52.31 93.67 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.314 -0.866 . . . . 0.0 108.939 -178.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -72.8 -22.27 60.85 Favored 'General case' 0 C--N 1.289 -2.044 0 CA-C-O 121.4 0.619 . . . . 0.0 110.42 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.677 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 5.9 p-90 -118.05 -13.95 9.97 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.528 -0.732 . . . . 0.0 110.777 -179.076 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.677 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -121.84 72.94 0.37 Allowed Glycine 0 N--CA 1.489 2.191 0 N-CA-C 110.149 -1.18 . . . . 0.0 110.149 -178.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.499 ' CD2' ' O ' ' A' ' 5' ' ' GLN . 29.0 m-70 -84.26 -173.14 4.55 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.213 -1.169 . . . . 0.0 109.946 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -140.22 -80.24 0.28 Allowed 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.339 -0.851 . . . . 0.0 110.159 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.2 ptt-85 -162.8 77.02 0.45 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.279 -0.888 . . . . 0.0 110.232 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.9 m . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.287 -0.883 . . . . 0.0 109.99 179.599 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.752 0 CA-C-O 121.357 0.598 . . . . 0.0 109.66 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.601 ' O ' HG12 ' A' ' 3' ' ' VAL . 9.1 t -115.79 8.25 7.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 CA-C-O 121.872 0.844 . . . . 0.0 110.197 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.478 ' O ' ' O ' ' A' ' 5' ' ' GLN . 0.2 OUTLIER -55.25 151.26 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.123 0 C-N-CA 119.598 -0.841 . . . . 0.0 109.8 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.61 ' HG3' ' CZ2' ' A' ' 7' ' ' TRP . 0.8 OUTLIER 39.48 93.69 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 122.081 0.943 . . . . 0.0 109.97 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.02 -44.06 97.97 Favored 'General case' 0 C--N 1.291 -1.978 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.71 -179.447 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.656 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 5.7 p-90 -79.69 -15.85 56.78 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.448 -0.782 . . . . 0.0 110.015 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.656 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -115.24 70.39 0.26 Allowed Glycine 0 N--CA 1.486 2.009 0 N-CA-C 109.972 -1.251 . . . . 0.0 109.972 -179.288 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -96.32 162.0 13.69 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.332 -1.099 . . . . 0.0 109.905 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.449 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 72.7 m-70 -109.3 -84.44 0.55 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.127 -0.983 . . . . 0.0 110.057 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.449 ' HB3' ' O ' ' A' ' 10' ' ' HIS . 17.0 ptt85 179.44 66.06 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.26 -0.9 . . . . 0.0 109.785 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 68.0 m . . . . . 0 N--CA 1.49 1.541 0 O-C-N 121.28 -0.887 . . . . 0.0 110.401 -179.801 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.465 ' C ' HG23 ' A' ' 3' ' ' VAL . 11.7 p . . . . . 0 N--CA 1.493 1.676 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.65 ' O ' HG12 ' A' ' 3' ' ' VAL . 90.2 t -148.01 16.41 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.289 -0.882 . . . . 0.0 110.377 -179.486 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.54 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 1.0 OUTLIER -43.21 169.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.29 -2.0 0 CA-C-O 121.653 0.74 . . . . 0.0 110.478 179.858 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.54 ' N ' ' CG2' ' A' ' 4' ' ' VAL . 12.4 mt-30 49.98 95.89 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.825 0.821 . . . . 0.0 110.077 -179.603 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -80.79 -20.92 41.5 Favored 'General case' 0 C--N 1.293 -1.872 0 CA-C-O 121.762 0.791 . . . . 0.0 109.733 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -101.55 -13.15 18.0 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-O 121.631 0.729 . . . . 0.0 109.34 179.502 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.445 ' O ' ' HB3' ' A' ' 5' ' ' GLN . . . -139.42 83.22 0.24 Allowed Glycine 0 N--CA 1.48 1.607 0 N-CA-C 109.842 -1.303 . . . . 0.0 109.842 -179.292 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.427 ' CD2' ' O ' ' A' ' 5' ' ' GLN . 21.8 m170 -79.95 139.72 36.94 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.236 -1.155 . . . . 0.0 110.546 -179.917 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.443 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -83.59 -80.28 0.19 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.292 -0.88 . . . . 0.0 110.327 -179.847 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.443 ' HB3' ' O ' ' A' ' 10' ' ' HIS . 10.5 ptt85 177.92 69.43 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.208 -0.933 . . . . 0.0 110.562 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.446 ' SG ' ' O ' ' A' ' 2' ' ' CYS . 6.9 m . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.186 -0.946 . . . . 0.0 110.023 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 13.7 tt . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.381 0.61 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -170.61 113.03 0.42 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.346 -0.846 . . . . 0.0 110.051 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.658 ' O ' HG12 ' A' ' 3' ' ' VAL . 25.2 t -141.74 9.76 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.341 -0.85 . . . . 0.0 110.396 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.486 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 0.9 OUTLIER -67.18 164.81 2.18 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.034 0 CA-C-O 121.618 0.723 . . . . 0.0 109.949 179.927 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.542 ' HG2' ' CZ2' ' A' ' 7' ' ' TRP . 6.7 mt-30 47.93 95.84 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.682 0 CA-C-O 121.97 0.891 . . . . 0.0 109.969 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -76.76 -40.91 46.81 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-O 121.533 0.682 . . . . 0.0 110.571 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.656 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 6.8 p-90 -78.73 -14.89 59.05 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.223 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.656 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -136.63 82.9 0.27 Allowed Glycine 0 N--CA 1.487 2.073 0 N-CA-C 110.046 -1.221 . . . . 0.0 110.046 -179.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -83.13 -175.83 6.03 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.369 -1.077 . . . . 0.0 109.489 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.442 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 37.9 m-70 -125.73 -82.77 0.63 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.065 -1.022 . . . . 0.0 110.291 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.534 ' O ' ' CG ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -178.14 74.98 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.969 -1.082 . . . . 0.0 110.059 179.689 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 87.8 m -69.67 -125.25 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.198 -0.938 . . . . 0.0 110.074 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.55 -169.27 1.55 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.864 -1.147 . . . . 0.0 110.202 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.316 0 O-C-N 119.849 -1.782 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 43.0 mt . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.395 0.616 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -152.83 109.98 3.51 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.438 -0.789 . . . . 0.0 110.064 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.662 ' O ' HG12 ' A' ' 3' ' ' VAL . 50.2 t -132.55 9.83 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 CA-C-O 121.777 0.799 . . . . 0.0 109.84 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.563 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 1.3 p -55.41 170.57 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.293 -1.891 0 CA-C-O 121.513 0.673 . . . . 0.0 110.073 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.563 ' N ' ' CG2' ' A' ' 4' ' ' VAL . 19.7 mt-30 48.36 96.38 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.634 0 CA-C-O 121.694 0.759 . . . . 0.0 109.645 -179.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.5 -22.95 66.78 Favored 'General case' 0 C--N 1.292 -1.907 0 CA-C-O 121.514 0.673 . . . . 0.0 110.039 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.52 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 4.5 p-90 -112.59 -19.03 12.24 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.618 -0.676 . . . . 0.0 109.936 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.52 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -92.87 58.29 2.5 Favored Glycine 0 N--CA 1.485 1.91 0 N-CA-C 109.753 -1.339 . . . . 0.0 109.753 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 57.5 m170 -79.8 127.7 32.54 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.127 -1.219 . . . . 0.0 110.593 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.462 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 90.8 m-70 -100.74 -92.47 0.3 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.261 -0.899 . . . . 0.0 110.221 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.473 ' O ' ' CG ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -179.42 82.84 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.271 -0.893 . . . . 0.0 109.923 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 92.6 m -69.79 -18.12 63.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.193 -0.942 . . . . 0.0 110.198 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 86.5 m -142.87 69.29 1.31 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.278 -0.889 . . . . 0.0 110.093 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.308 0 O-C-N 119.785 -1.822 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.3 p -105.26 115.2 29.86 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.222 -0.924 . . . . 0.0 110.072 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.525 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 1.2 t -124.3 10.11 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.449 -0.782 . . . . 0.0 110.188 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.502 ' O ' ' O ' ' A' ' 5' ' ' GLN . 0.1 OUTLIER -33.93 150.64 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 CA-C-O 121.488 0.661 . . . . 0.0 110.453 -179.653 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.521 ' CB ' ' HA3' ' A' ' 8' ' ' GLY . 92.2 mt-30 42.56 97.91 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.575 0 CA-C-O 122.269 1.033 . . . . 0.0 109.49 -178.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 5' ' ' GLN . 0.7 OUTLIER -42.12 -28.5 0.19 Allowed 'General case' 0 C--N 1.294 -1.839 0 CA-C-O 121.549 0.69 . . . . 0.0 109.813 -179.606 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.638 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 5.2 p-90 -121.66 -13.59 8.31 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-O 121.544 0.688 . . . . 0.0 110.156 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.638 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -81.06 56.68 4.85 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 -179.239 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -79.66 95.0 5.8 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.264 -1.139 . . . . 0.0 109.372 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -91.86 -57.71 2.65 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.292 -0.88 . . . . 0.0 111.949 -178.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.426 ' O ' ' CG ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -143.65 85.47 1.83 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.028 -1.045 . . . . 0.0 111.192 -178.841 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 m -132.89 156.54 47.03 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.531 -0.731 . . . . 0.0 110.094 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.6 t -101.59 -7.52 22.67 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.063 -1.023 . . . . 0.0 110.11 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.387 0 O-C-N 119.949 -1.719 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.469 HD13 ' HA ' ' A' ' 1' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.124 0.488 . . . . 0.0 110.155 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.45 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 26.7 p -93.09 112.98 25.11 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.084 -1.01 . . . . 0.0 110.047 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.679 ' O ' HG12 ' A' ' 3' ' ' VAL . 41.1 t -147.18 11.79 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 CA-C-O 121.814 0.816 . . . . 0.0 110.383 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.7 HG22 ' H ' ' A' ' 5' ' ' GLN . 6.3 p -81.49 -176.87 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.289 -2.053 0 O-C-N 121.699 -0.626 . . . . 0.0 109.42 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.7 ' H ' HG22 ' A' ' 4' ' ' VAL . 0.5 OUTLIER 40.19 45.83 1.8 Allowed 'General case' 0 C--N 1.297 -1.715 0 CA-C-O 121.78 0.8 . . . . 0.0 109.756 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.505 ' O ' ' NE2' ' A' ' 9' ' ' HIS . 35.7 m-20 -40.42 -26.08 0.03 OUTLIER 'General case' 0 C--N 1.293 -1.877 0 O-C-N 121.632 -0.667 . . . . 0.0 110.723 -179.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.599 ' CH2' ' HG3' ' A' ' 5' ' ' GLN . 2.4 p-90 -102.36 -11.83 18.36 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.187 -0.946 . . . . 0.0 110.367 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.598 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -127.06 78.39 0.38 Allowed Glycine 0 N--CA 1.484 1.872 0 N-CA-C 110.013 -1.235 . . . . 0.0 110.013 -179.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.505 ' NE2' ' O ' ' A' ' 6' ' ' ASP . 45.0 m170 -77.68 158.63 29.6 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.174 -1.192 . . . . 0.0 110.382 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -117.2 -69.43 0.85 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.277 -0.889 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -179.1 89.13 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.509 -0.745 . . . . 0.0 110.111 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.1 m -83.53 -91.18 0.08 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.309 -0.869 . . . . 0.0 110.251 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -160.41 127.78 4.43 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.292 -0.88 . . . . 0.0 109.763 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.449 0 O-C-N 119.91 -1.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.672 HD13 ' O ' ' A' ' 1' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.128 0.49 . . . . 0.0 110.201 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.474 ' C ' HG23 ' A' ' 3' ' ' VAL . 8.4 p -84.26 127.55 34.02 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.062 -1.024 . . . . 0.0 109.982 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.656 ' O ' HG12 ' A' ' 3' ' ' VAL . 94.4 t -150.12 14.79 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.138 -0.976 . . . . 0.0 110.302 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.82 HG22 ' HG3' ' A' ' 5' ' ' GLN . 0.6 OUTLIER -59.2 154.83 3.08 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.001 0 CA-C-O 121.651 0.739 . . . . 0.0 110.039 -179.828 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.82 ' HG3' HG22 ' A' ' 4' ' ' VAL . 2.7 mt-30 48.45 95.8 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 121.805 0.812 . . . . 0.0 110.014 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.406 ' O ' ' NE2' ' A' ' 9' ' ' HIS . 6.8 m-20 -61.47 -21.4 64.14 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-O 121.52 0.676 . . . . 0.0 109.763 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.62 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 6.4 p-90 -118.97 -15.42 9.31 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.559 0.695 . . . . 0.0 110.295 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.62 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -92.59 65.61 2.07 Favored Glycine 0 N--CA 1.486 2.01 0 N-CA-C 109.807 -1.317 . . . . 0.0 109.807 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.406 ' NE2' ' O ' ' A' ' 6' ' ' ASP . 15.0 m170 -79.09 126.57 30.88 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.465 -1.021 . . . . 0.0 110.489 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.46 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -98.07 -74.84 0.57 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.413 -0.804 . . . . 0.0 110.606 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.46 ' HB3' ' O ' ' A' ' 10' ' ' HIS . 0.1 OUTLIER -178.39 65.62 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.106 -0.996 . . . . 0.0 111.041 -179.701 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 m -73.24 -77.22 0.11 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.98 -1.075 . . . . 0.0 110.457 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.86 139.6 30.92 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.436 -0.79 . . . . 0.0 109.779 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.366 0 O-C-N 119.885 -1.759 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.74 HD13 ' O ' ' A' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.727 0 CA-C-O 121.328 0.585 . . . . 0.0 109.93 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.9 m -140.19 114.73 9.35 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.294 -0.879 . . . . 0.0 110.143 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.63 ' O ' HG12 ' A' ' 3' ' ' VAL . 36.6 t -110.42 9.13 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.257 -0.902 . . . . 0.0 110.657 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.585 HG22 ' N ' ' A' ' 5' ' ' GLN . 1.9 p -97.96 171.6 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.293 -1.885 0 CA-C-O 121.465 0.65 . . . . 0.0 110.023 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.588 ' HG3' ' CH2' ' A' ' 7' ' ' TRP . 0.0 OUTLIER 64.69 35.59 8.8 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-O 121.913 0.863 . . . . 0.0 109.638 179.619 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -43.52 -30.47 0.58 Allowed 'General case' 0 C--N 1.293 -1.876 0 CA-C-O 121.476 0.655 . . . . 0.0 110.105 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.62 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 3.3 p-90 -94.89 -13.99 24.94 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.467 -0.771 . . . . 0.0 110.017 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.62 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -125.97 77.34 0.39 Allowed Glycine 0 N--CA 1.482 1.754 0 N-CA-C 108.971 -1.651 . . . . 0.0 108.971 -179.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -77.45 166.41 23.14 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.162 -1.199 . . . . 0.0 110.78 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -132.76 -92.99 0.36 Allowed 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.712 -0.617 . . . . 0.0 109.65 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 ptt85 -176.28 54.57 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.153 -0.967 . . . . 0.0 110.143 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 67.7 m -79.51 4.47 15.63 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.278 -0.889 . . . . 0.0 110.07 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.7 m -161.99 119.28 2.15 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.291 -0.881 . . . . 0.0 110.204 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 119.831 -1.793 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.37 0.605 . . . . 0.0 109.877 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.7 p -71.27 110.57 5.99 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.146 -0.971 . . . . 0.0 110.116 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.692 ' O ' HG12 ' A' ' 3' ' ' VAL . 55.5 t -142.62 11.34 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.29 -0.881 . . . . 0.0 110.671 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.495 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 0.7 OUTLIER -56.64 165.43 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.289 -2.034 0 CA-C-O 121.644 0.735 . . . . 0.0 110.419 -179.752 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.495 ' N ' ' CG2' ' A' ' 4' ' ' VAL . 40.8 mt-30 43.6 97.71 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 122.015 0.912 . . . . 0.0 110.101 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.31 -42.81 92.65 Favored 'General case' 0 C--N 1.292 -1.897 0 CA-C-O 121.572 0.701 . . . . 0.0 110.112 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.587 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 8.6 p-90 -93.16 -16.3 25.02 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-O 121.577 0.703 . . . . 0.0 109.902 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.587 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -114.26 71.55 0.24 Allowed Glycine 0 N--CA 1.488 2.103 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -79.07 -176.28 5.01 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.335 -1.097 . . . . 0.0 109.85 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -124.92 -100.07 0.4 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.157 -0.965 . . . . 0.0 110.422 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -156.35 60.59 0.56 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.924 -1.11 . . . . 0.0 110.276 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 86.4 m -77.94 -96.31 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.371 -0.83 . . . . 0.0 110.076 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -147.11 3.35 0.8 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.105 -0.997 . . . . 0.0 110.632 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.484 0 O-C-N 119.776 -1.827 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.446 ' HA ' HD12 ' A' ' 1' ' ' ILE . 6.9 tp . . . . . 0 N--CA 1.493 1.694 0 CA-C-O 121.361 0.6 . . . . 0.0 110.241 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.463 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 1.6 p -68.12 112.33 5.01 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 119.326 -0.949 . . . . 0.0 110.518 -179.163 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.663 ' O ' HG12 ' A' ' 3' ' ' VAL . 42.0 t -120.08 10.98 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 CA-C-O 122.041 0.924 . . . . 0.0 109.825 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.542 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 1.2 p -55.8 170.93 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 CA-C-O 121.697 0.76 . . . . 0.0 110.457 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.542 ' N ' ' CG2' ' A' ' 4' ' ' VAL . 37.7 mt-30 42.41 93.81 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.479 0 CA-C-O 121.672 0.748 . . . . 0.0 110.368 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.74 -18.6 58.38 Favored 'General case' 0 C--N 1.291 -1.952 0 CA-C-O 121.793 0.806 . . . . 0.0 109.697 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 2.1 p-90 -112.66 -12.98 13.33 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-O 121.598 0.713 . . . . 0.0 109.781 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.493 ' O ' ' HB3' ' A' ' 5' ' ' GLN . . . -125.27 77.96 0.38 Allowed Glycine 0 N--CA 1.48 1.603 0 N-CA-C 109.357 -1.497 . . . . 0.0 109.357 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.492 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 2.8 m170 -77.55 -175.84 4.0 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.223 -1.163 . . . . 0.0 109.895 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -149.35 -74.6 0.17 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.269 -0.894 . . . . 0.0 109.719 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.45 87.85 0.06 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.614 -0.679 . . . . 0.0 109.929 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.463 ' SG ' ' O ' ' A' ' 2' ' ' CYS . 23.5 m -102.74 -71.33 0.73 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.278 -0.889 . . . . 0.0 110.335 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.76 109.4 21.33 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.296 -0.878 . . . . 0.0 110.421 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.296 0 O-C-N 119.784 -1.823 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 8.7 tt . . . . . 0 N--CA 1.494 1.765 0 CA-C-O 121.258 0.551 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 16.2 p -169.51 118.94 0.65 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.151 -0.968 . . . . 0.0 110.391 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.7 ' O ' HG12 ' A' ' 3' ' ' VAL . 46.5 t -129.72 14.15 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.221 -0.924 . . . . 0.0 110.137 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.557 HG22 ' N ' ' A' ' 5' ' ' GLN . 1.6 p -71.98 168.85 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.906 0 CA-C-O 121.523 0.678 . . . . 0.0 110.735 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.557 ' N ' HG22 ' A' ' 4' ' ' VAL . 65.0 mt-30 38.35 89.69 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.791 0.805 . . . . 0.0 110.394 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -71.23 -17.83 62.48 Favored 'General case' 0 C--N 1.287 -2.125 0 CA-C-O 121.388 0.613 . . . . 0.0 110.238 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.562 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 4.3 p-90 -119.32 -10.84 9.64 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.418 -0.801 . . . . 0.0 110.203 -179.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.562 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -119.2 81.46 0.33 Allowed Glycine 0 N--CA 1.483 1.794 0 N-CA-C 108.917 -1.673 . . . . 0.0 108.917 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.499 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 3.7 m170 -77.84 160.49 28.28 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.396 -1.061 . . . . 0.0 111.076 -178.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -120.84 -76.31 0.58 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.568 -0.707 . . . . 0.0 110.075 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.633 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -176.61 111.59 0.09 Allowed 'General case' 0 C--N 1.305 -1.33 0 CA-C-O 122.146 0.974 . . . . 0.0 108.705 179.561 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.7 m -133.63 -172.24 2.92 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.266 -0.896 . . . . 0.0 110.504 -178.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.5 p -114.3 -139.7 0.38 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.122 -0.987 . . . . 0.0 110.46 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 119.881 -1.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.779 ' O ' HG23 ' A' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.696 0.76 . . . . 0.0 110.15 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -153.99 124.88 7.23 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.149 -0.969 . . . . 0.0 110.057 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.641 ' O ' HG12 ' A' ' 3' ' ' VAL . 19.4 t -118.14 9.82 6.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 CA-C-O 121.87 0.843 . . . . 0.0 110.377 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.555 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 1.3 p -65.35 169.96 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 CA-C-O 121.663 0.744 . . . . 0.0 110.434 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.594 ' HG2' ' CH2' ' A' ' 7' ' ' TRP . 18.8 mt-30 47.16 91.7 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.579 0 CA-C-O 121.871 0.843 . . . . 0.0 110.869 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.66 -16.06 60.24 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-O 121.756 0.789 . . . . 0.0 109.354 178.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.604 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 3.5 p-90 -116.87 -13.69 10.69 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 121.723 0.773 . . . . 0.0 109.638 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.604 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -109.3 73.56 0.2 Allowed Glycine 0 N--CA 1.481 1.688 0 N-CA-C 108.799 -1.72 . . . . 0.0 108.799 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.515 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 2.0 m170 -78.29 134.6 37.49 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.47 -1.018 . . . . 0.0 110.475 -179.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.523 ' C ' ' HG3' ' A' ' 11' ' ' ARG . 33.5 m170 -113.02 -109.43 0.36 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.414 -0.804 . . . . 0.0 109.384 179.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.523 ' HG3' ' C ' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -153.02 80.31 1.2 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.832 -1.167 . . . . 0.0 109.479 179.149 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.4 m -70.4 -10.22 58.49 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.092 -1.005 . . . . 0.0 110.166 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -139.76 110.25 6.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.207 -0.933 . . . . 0.0 110.164 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 119.848 -1.782 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.478 HD13 ' O ' ' A' ' 1' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.338 0.59 . . . . 0.0 109.904 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.445 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 25.2 p -118.03 109.14 16.09 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.228 -0.92 . . . . 0.0 110.506 179.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.51 ' CG1' ' O ' ' A' ' 3' ' ' VAL . 1.0 OUTLIER -136.75 5.57 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 CA-C-O 121.681 0.753 . . . . 0.0 110.014 179.705 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.489 HG12 ' H ' ' A' ' 4' ' ' VAL . 0.8 OUTLIER -65.82 158.04 5.12 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.052 0 CA-C-O 121.871 0.843 . . . . 0.0 110.069 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.578 ' O ' ' CD2' ' A' ' 9' ' ' HIS . 44.9 mt-30 51.79 97.98 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.766 0 CA-C-O 121.793 0.806 . . . . 0.0 110.567 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.07 -21.48 54.34 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-O 121.821 0.819 . . . . 0.0 109.809 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.656 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 4.2 p-90 -111.26 -16.94 13.29 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 121.667 0.746 . . . . 0.0 109.68 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.656 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -106.87 68.32 0.23 Allowed Glycine 0 N--CA 1.487 2.042 0 N-CA-C 109.341 -1.503 . . . . 0.0 109.341 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.578 ' CD2' ' O ' ' A' ' 5' ' ' GLN . 8.6 m-70 -92.14 148.16 22.38 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.437 -1.037 . . . . 0.0 110.895 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.404 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -112.51 -76.4 0.59 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.197 -0.939 . . . . 0.0 109.912 179.877 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.404 ' HB3' ' O ' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -179.55 89.22 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.508 -0.745 . . . . 0.0 110.197 -179.673 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.2 m -72.74 -94.73 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.121 -0.987 . . . . 0.0 109.761 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.7 p -127.11 -14.66 5.43 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.22 -0.925 . . . . 0.0 109.69 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 119.956 -1.715 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.986 HD13 ' O ' ' A' ' 1' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.176 0.512 . . . . 0.0 110.111 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.57 ' O ' HG23 ' A' ' 3' ' ' VAL . 25.1 p -74.57 105.2 5.57 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.018 -1.051 . . . . 0.0 109.997 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.73 ' O ' HG12 ' A' ' 3' ' ' VAL . 50.8 t -156.15 15.26 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 CA-C-O 121.763 0.792 . . . . 0.0 110.738 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.57 HG22 ' N ' ' A' ' 5' ' ' GLN . 2.6 p -57.75 172.67 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.08 0 O-C-N 121.511 -0.743 . . . . 0.0 109.709 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.591 ' OE1' ' CZ3' ' A' ' 7' ' ' TRP . 11.7 mt-30 53.15 94.69 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.391 -0.818 . . . . 0.0 109.737 -178.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -21.15 64.2 Favored 'General case' 0 C--N 1.295 -1.765 0 CA-C-O 121.672 0.749 . . . . 0.0 109.942 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.638 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 4.0 p-90 -113.41 -12.7 12.94 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 121.58 0.705 . . . . 0.0 109.756 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.638 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -104.19 71.32 0.26 Allowed Glycine 0 N--CA 1.485 1.96 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 -179.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 62.2 m170 -78.84 139.99 38.26 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.49 -1.006 . . . . 0.0 110.331 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -98.66 -80.66 0.46 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.255 -0.903 . . . . 0.0 109.994 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -171.4 50.3 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.3 -0.875 . . . . 0.0 110.437 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.431 ' SG ' ' O ' ' A' ' 2' ' ' CYS . 87.2 m -88.51 -63.99 1.21 Allowed 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.216 -0.928 . . . . 0.0 110.21 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.52 11.56 16.82 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.424 -0.797 . . . . 0.0 110.317 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.383 0 O-C-N 119.824 -1.798 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.617 HD13 ' O ' ' A' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 121.274 0.559 . . . . 0.0 110.256 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -117.31 116.5 27.35 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.232 -0.917 . . . . 0.0 109.807 179.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.625 ' O ' HG12 ' A' ' 3' ' ' VAL . 4.0 t -123.98 14.42 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 CA-C-O 121.904 0.859 . . . . 0.0 109.746 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.483 ' O ' ' O ' ' A' ' 3' ' ' VAL . 0.7 OUTLIER -39.35 162.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.291 -1.949 0 CA-C-O 121.709 0.766 . . . . 0.0 110.493 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.519 ' O ' ' CD2' ' A' ' 9' ' ' HIS . 76.5 mt-30 58.67 103.61 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 121.719 0.771 . . . . 0.0 109.564 -179.175 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -73.95 -22.42 59.66 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-O 121.417 0.627 . . . . 0.0 110.784 -179.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.663 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 6.2 p-90 -115.58 -15.94 11.37 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.39 -0.819 . . . . 0.0 110.691 -178.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.663 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -129.43 75.86 0.42 Allowed Glycine 0 N--CA 1.488 2.12 0 C-N-CA 119.725 -1.226 . . . . 0.0 110.208 -178.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.519 ' CD2' ' O ' ' A' ' 5' ' ' GLN . 15.9 m80 -79.67 168.28 19.56 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.121 -1.223 . . . . 0.0 109.379 179.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.441 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 6.7 m170 -107.05 -90.82 0.42 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.066 -1.021 . . . . 0.0 110.41 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.442 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -178.32 60.85 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.214 -0.929 . . . . 0.0 110.039 -179.785 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.8 m -72.43 -89.39 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.292 -0.88 . . . . 0.0 110.501 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -88.41 164.66 15.4 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.32 -0.863 . . . . 0.0 110.285 -179.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.405 0 O-C-N 119.913 -1.742 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.22 0.533 . . . . 0.0 109.894 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.442 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 1.8 p -90.76 132.32 35.91 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.932 -1.105 . . . . 0.0 110.167 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.663 ' O ' HG12 ' A' ' 3' ' ' VAL . 54.4 t -128.13 13.15 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 CA-C-O 121.931 0.872 . . . . 0.0 109.951 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.566 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 1.3 p -59.64 169.58 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.926 0 CA-C-O 121.839 0.828 . . . . 0.0 111.106 -179.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.585 ' HB3' ' CA ' ' A' ' 8' ' ' GLY . 3.5 mt-30 37.89 90.38 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 CA-C-O 121.908 0.861 . . . . 0.0 110.999 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.585 ' OD1' ' CD1' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -45.34 -39.71 7.06 Favored 'General case' 0 N--CA 1.501 2.1 0 CA-C-O 121.53 0.681 . . . . 0.0 110.105 179.619 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.634 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 4.1 p-90 -113.67 -12.32 12.83 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.559 -0.713 . . . . 0.0 110.614 -179.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.634 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -93.87 64.1 1.79 Allowed Glycine 0 N--CA 1.485 1.957 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 -179.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -78.56 164.13 24.95 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.41 -1.053 . . . . 0.0 109.82 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.545 ' HB3' ' HD3' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -130.54 -82.53 0.54 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.126 -0.984 . . . . 0.0 111.326 -179.059 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.675 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -171.49 45.28 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.09 -1.006 . . . . 0.0 111.394 -179.085 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.469 ' O ' ' OG1' ' A' ' 13' ' ' THR . 79.9 m -67.7 56.09 0.06 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.411 -1.431 . . . . 0.0 110.692 179.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.532 HG22 ' N ' ' A' ' 14' ' ' NH2 . 27.4 m -167.73 -89.63 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.132 -0.98 . . . . 0.0 110.239 179.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . 0.532 ' N ' HG22 ' A' ' 13' ' ' THR . . . . . . . . 0 C--N 1.304 -1.409 0 O-C-N 119.907 -1.746 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.614 HD13 ' O ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.334 0.588 . . . . 0.0 110.051 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.7 p -121.79 118.22 28.48 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.266 -0.896 . . . . 0.0 110.15 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.675 ' O ' HG12 ' A' ' 3' ' ' VAL . 42.2 t -139.44 10.86 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 CA-C-O 121.863 0.84 . . . . 0.0 110.556 -179.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.541 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 1.4 p -62.16 169.94 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.941 0 CA-C-O 121.587 0.708 . . . . 0.0 110.434 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.541 ' N ' ' CG2' ' A' ' 4' ' ' VAL . 14.6 mt-30 43.69 94.28 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 122.164 0.983 . . . . 0.0 109.768 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -75.11 -23.0 57.86 Favored 'General case' 0 C--N 1.289 -2.043 0 CA-C-O 121.464 0.649 . . . . 0.0 110.812 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.571 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 4.0 p-90 -106.18 -7.39 17.91 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.369 -0.832 . . . . 0.0 110.771 -179.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.571 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -147.92 93.21 0.15 Allowed Glycine 0 N--CA 1.481 1.691 0 C-N-CA 119.495 -1.336 . . . . 0.0 110.56 -178.576 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.447 ' CD2' ' N ' ' A' ' 9' ' ' HIS . 26.0 m170 -78.39 167.17 21.74 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.395 -1.062 . . . . 0.0 109.683 179.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.531 ' HB3' ' HD2' ' A' ' 11' ' ' ARG . 3.3 m170 -110.43 -95.36 0.42 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.087 -1.008 . . . . 0.0 110.53 -179.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.597 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -158.53 93.69 1.22 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.994 -1.066 . . . . 0.0 110.03 179.54 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 91.2 m -86.67 -71.01 0.57 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.971 -1.08 . . . . 0.0 110.402 -179.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -155.66 87.53 1.09 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.39 -0.819 . . . . 0.0 110.281 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.405 0 O-C-N 119.835 -1.79 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.83 ' O ' HG23 ' A' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.67 0.748 . . . . 0.0 110.29 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.486 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 22.5 p -116.01 118.04 31.8 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.637 -1.289 . . . . 0.0 110.451 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.497 ' O ' HG12 ' A' ' 3' ' ' VAL . 17.6 t -148.65 13.55 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 120.999 -1.063 . . . . 0.0 110.639 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.509 ' CG2' ' OE1' ' A' ' 5' ' ' GLN . 0.9 OUTLIER -52.8 161.85 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.968 0 CA-C-O 121.608 0.718 . . . . 0.0 110.263 -179.732 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.596 ' O ' ' CD2' ' A' ' 9' ' ' HIS . 0.3 OUTLIER 41.4 96.95 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 121.954 0.883 . . . . 0.0 110.432 -179.833 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.404 ' O ' ' NE2' ' A' ' 9' ' ' HIS . 13.9 m-20 -56.15 -28.46 58.08 Favored 'General case' 0 C--N 1.288 -2.094 0 CA-C-O 121.401 0.619 . . . . 0.0 110.064 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.63 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 4.8 p-90 -115.98 -13.27 11.27 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.327 -0.858 . . . . 0.0 110.622 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.63 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -114.79 70.15 0.25 Allowed Glycine 0 N--CA 1.489 2.188 0 C-N-CA 119.971 -1.109 . . . . 0.0 110.36 -178.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 5' ' ' GLN . 19.8 m170 -79.8 167.54 20.45 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.127 -1.219 . . . . 0.0 109.596 179.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.422 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 1.6 t-80 -114.92 -43.49 3.11 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.066 -1.022 . . . . 0.0 110.419 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.422 ' HB3' ' O ' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -179.34 78.56 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.331 -0.856 . . . . 0.0 110.568 -179.885 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.4 m -112.17 150.3 31.01 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.312 -0.868 . . . . 0.0 110.07 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.61 143.82 26.58 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.247 -0.908 . . . . 0.0 110.141 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.382 0 O-C-N 119.873 -1.767 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.757 HD13 ' O ' ' A' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.328 0.585 . . . . 0.0 110.089 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.413 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 24.8 p -84.66 115.67 22.79 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.4 -0.812 . . . . 0.0 111.255 -179.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.657 ' O ' HG12 ' A' ' 3' ' ' VAL . 38.6 t -149.11 10.15 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.404 -0.81 . . . . 0.0 110.843 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.552 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 0.7 OUTLIER -56.19 170.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.893 0 O-C-N 121.477 -0.764 . . . . 0.0 110.006 179.742 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.552 ' N ' ' CG2' ' A' ' 4' ' ' VAL . 77.0 mt-30 48.36 98.39 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 121.897 0.856 . . . . 0.0 109.933 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.517 ' O ' ' NE2' ' A' ' 9' ' ' HIS . 4.8 m-20 -75.15 -23.25 57.77 Favored 'General case' 0 C--N 1.289 -2.054 0 CA-C-O 121.329 0.585 . . . . 0.0 110.531 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.657 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 5.9 p-90 -112.78 -15.93 12.85 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.403 -0.81 . . . . 0.0 110.354 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.657 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -116.01 73.21 0.26 Allowed Glycine 0 N--CA 1.487 2.094 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 -179.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.517 ' NE2' ' O ' ' A' ' 6' ' ' ASP . 16.1 m170 -79.55 175.32 10.72 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.329 -1.1 . . . . 0.0 110.195 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.03 -86.99 0.38 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.177 -0.952 . . . . 0.0 109.977 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.527 ' O ' ' CG ' ' A' ' 11' ' ' ARG . 1.0 OUTLIER -159.88 94.48 1.13 Allowed 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.063 -1.023 . . . . 0.0 109.267 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.5 m -99.51 -94.36 0.25 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.043 -1.035 . . . . 0.0 110.514 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.7 m -146.62 49.96 1.14 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.131 -0.981 . . . . 0.0 110.089 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.355 0 O-C-N 119.887 -1.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.415 HG23 ' N ' ' A' ' 2' ' ' CYS . 1.3 tt . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 121.198 0.523 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.415 ' N ' HG23 ' A' ' 1' ' ' ILE . 7.0 p -69.45 108.02 3.59 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.279 -0.888 . . . . 0.0 110.371 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.674 ' O ' HG12 ' A' ' 3' ' ' VAL . 42.9 t -129.92 8.5 2.32 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 121.444 -0.785 . . . . 0.0 110.293 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.551 HG22 ' HG3' ' A' ' 5' ' ' GLN . 1.3 p -60.26 164.77 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.928 0 C-N-CA 119.935 -0.706 . . . . 0.0 109.77 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.551 ' HG3' HG22 ' A' ' 4' ' ' VAL . 26.8 mt-30 46.0 95.47 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.619 0 CA-C-O 121.746 0.784 . . . . 0.0 109.665 -179.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.11 -21.23 30.61 Favored 'General case' 0 C--N 1.291 -1.959 0 CA-C-O 121.76 0.791 . . . . 0.0 109.909 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.648 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 5.7 p-90 -117.13 -16.46 10.42 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 121.538 0.685 . . . . 0.0 109.924 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.648 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -78.38 52.78 3.83 Favored Glycine 0 N--CA 1.488 2.102 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -179.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -85.85 106.3 16.97 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.284 -1.127 . . . . 0.0 109.654 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -110.14 -46.02 3.51 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.205 -0.934 . . . . 0.0 111.282 -179.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.606 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -165.78 100.71 0.67 Allowed 'General case' 0 C--N 1.303 -1.418 0 O-C-N 120.944 -1.097 . . . . 0.0 109.964 -179.087 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 m -125.9 -95.6 0.45 Allowed 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.015 -1.053 . . . . 0.0 109.902 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.607 ' HG1' ' N ' ' A' ' 14' ' ' NH2 . 1.2 t -133.66 166.88 21.59 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.039 -1.038 . . . . 0.0 110.025 179.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . 0.607 ' N ' ' HG1' ' A' ' 13' ' ' THR . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 119.839 -1.788 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.509 ' O ' HG23 ' A' ' 1' ' ' ILE . 1.5 tt . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.44 0.638 . . . . 0.0 109.845 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.6 p -129.57 113.59 15.02 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.265 -0.897 . . . . 0.0 110.304 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.66 ' O ' HG12 ' A' ' 3' ' ' VAL . 23.1 t -134.92 10.97 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 CA-C-O 121.893 0.854 . . . . 0.0 109.876 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.576 HG22 ' N ' ' A' ' 5' ' ' GLN . 2.3 p -57.51 172.81 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.948 0 O-C-N 121.741 -0.599 . . . . 0.0 109.669 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.576 ' N ' HG22 ' A' ' 4' ' ' VAL . 41.1 mt-30 52.31 93.67 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.314 -0.866 . . . . 0.0 108.939 -178.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -72.8 -22.27 60.85 Favored 'General case' 0 C--N 1.289 -2.044 0 CA-C-O 121.4 0.619 . . . . 0.0 110.42 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.677 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 5.9 p-90 -118.05 -13.95 9.97 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.528 -0.732 . . . . 0.0 110.777 -179.076 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.677 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -121.84 72.94 0.37 Allowed Glycine 0 N--CA 1.489 2.191 0 N-CA-C 110.149 -1.18 . . . . 0.0 110.149 -178.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.499 ' CD2' ' O ' ' A' ' 5' ' ' GLN . 29.0 m-70 -84.26 -173.14 4.55 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.213 -1.169 . . . . 0.0 109.946 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -140.22 -80.24 0.28 Allowed 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.339 -0.851 . . . . 0.0 110.159 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.2 ptt-85 -162.8 77.02 0.45 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.279 -0.888 . . . . 0.0 110.232 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.9 m -99.62 -84.02 0.42 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.287 -0.883 . . . . 0.0 109.99 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.535 HG22 ' O ' ' A' ' 13' ' ' THR . 91.5 m -125.39 61.15 1.22 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.272 -0.893 . . . . 0.0 110.462 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.404 0 O-C-N 119.867 -1.77 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 4.3 tt . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.326 0.584 . . . . 0.0 110.106 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.73 111.14 16.36 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.339 -0.851 . . . . 0.0 109.66 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.601 ' O ' HG12 ' A' ' 3' ' ' VAL . 9.1 t -115.79 8.25 7.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 CA-C-O 121.872 0.844 . . . . 0.0 110.197 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.478 ' O ' ' O ' ' A' ' 5' ' ' GLN . 0.2 OUTLIER -55.25 151.26 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.123 0 C-N-CA 119.598 -0.841 . . . . 0.0 109.8 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.61 ' HG3' ' CZ2' ' A' ' 7' ' ' TRP . 0.8 OUTLIER 39.48 93.69 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 122.081 0.943 . . . . 0.0 109.97 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.02 -44.06 97.97 Favored 'General case' 0 C--N 1.291 -1.978 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.71 -179.447 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.656 ' CE3' ' N ' ' A' ' 8' ' ' GLY . 5.7 p-90 -79.69 -15.85 56.78 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.448 -0.782 . . . . 0.0 110.015 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.656 ' N ' ' CE3' ' A' ' 7' ' ' TRP . . . -115.24 70.39 0.26 Allowed Glycine 0 N--CA 1.486 2.009 0 N-CA-C 109.972 -1.251 . . . . 0.0 109.972 -179.288 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -96.32 162.0 13.69 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.332 -1.099 . . . . 0.0 109.905 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.449 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 72.7 m-70 -109.3 -84.44 0.55 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.127 -0.983 . . . . 0.0 110.057 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.449 ' HB3' ' O ' ' A' ' 10' ' ' HIS . 17.0 ptt85 179.44 66.06 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.26 -0.9 . . . . 0.0 109.785 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 68.0 m -72.28 -172.78 0.97 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.28 -0.887 . . . . 0.0 110.401 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.5 m -99.57 38.54 1.42 Allowed 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.391 -0.818 . . . . 0.0 109.984 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.277 0 O-C-N 119.872 -1.768 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.539 ' O ' ' CD1' ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 121.513 0.673 . . . . 0.0 109.935 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.465 ' C ' HG23 ' A' ' 3' ' ' VAL . 11.7 p -135.08 119.4 17.82 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.251 -0.906 . . . . 0.0 109.554 179.32 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.65 ' O ' HG12 ' A' ' 3' ' ' VAL . 90.2 t -148.01 16.41 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.289 -0.882 . . . . 0.0 110.377 -179.486 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.54 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 1.0 OUTLIER -43.21 169.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.29 -2.0 0 CA-C-O 121.653 0.74 . . . . 0.0 110.478 179.858 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.54 ' N ' ' CG2' ' A' ' 4' ' ' VAL . 12.4 mt-30 49.98 95.89 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.825 0.821 . . . . 0.0 110.077 -179.603 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -80.79 -20.92 41.5 Favored 'General case' 0 C--N 1.293 -1.872 0 CA-C-O 121.762 0.791 . . . . 0.0 109.733 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -101.55 -13.15 18.0 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-O 121.631 0.729 . . . . 0.0 109.34 179.502 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.445 ' O ' ' HB3' ' A' ' 5' ' ' GLN . . . -139.42 83.22 0.24 Allowed Glycine 0 N--CA 1.48 1.607 0 N-CA-C 109.842 -1.303 . . . . 0.0 109.842 -179.292 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.427 ' CD2' ' O ' ' A' ' 5' ' ' GLN . 21.8 m170 -79.95 139.72 36.94 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.236 -1.155 . . . . 0.0 110.546 -179.917 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.443 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -83.59 -80.28 0.19 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.292 -0.88 . . . . 0.0 110.327 -179.847 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.443 ' HB3' ' O ' ' A' ' 10' ' ' HIS . 10.5 ptt85 177.92 69.43 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.208 -0.933 . . . . 0.0 110.562 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.446 ' SG ' ' O ' ' A' ' 2' ' ' CYS . 6.9 m -77.13 -79.32 0.11 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.186 -0.946 . . . . 0.0 110.023 179.603 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -114.06 140.4 48.49 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.306 -0.871 . . . . 0.0 110.168 179.911 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 119.727 -1.858 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_