data_3btb_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 3btb _Structure_validation_residue.Date_analyzed 2016-10-08 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 full ' A' A ' 1' ' ' MET . . . . . 0.432 ' H2 ' ' CD ' ' A' ' 3' ' ' GLU . 4.1 mpp? . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 119.186 -0.435 . . . . 0.0 110.121 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -158.46 58.4 0.45 Allowed 'General case' 0 C--N 1.349 0.57 0 CA-C-O 124.767 2.223 . . . . 0.0 106.483 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.456 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 1.4 pm0 -88.94 64.15 7.05 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 127.193 2.197 . . . . 0.0 112.214 -179.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -99.16 160.46 14.25 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 127.899 2.48 . . . . 0.0 115.165 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -126.87 -26.84 3.12 Favored 'General case' 0 C--N 1.345 0.396 0 C-N-CA 125.63 1.572 . . . . 0.0 112.045 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.61 -179.29 3.64 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 128.442 2.697 . . . . 0.0 112.562 -178.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -93.02 37.29 1.03 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 130.622 3.569 . . . . 0.0 113.502 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.267 0.3 OUTLIER -39.15 -57.1 1.37 Allowed 'General case' 0 CA--C 1.561 1.402 1 N-CA-C 123.536 4.643 . . . . 0.0 123.536 -179.224 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.672 45.0 mt-10 41.79 63.43 1.31 Allowed 'General case' 0 C--N 1.348 0.527 1 C-N-CA 133.669 4.788 . . . . 0.0 119.55 -176.331 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.638 67.5 m-20 83.37 0.47 1.1 Allowed 'General case' 0 C--N 1.353 0.748 1 C-N-CA 132.532 4.333 . . . . 0.0 117.569 179.434 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.49 98.63 4.91 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 119.926 -1.734 . . . . 0.0 109.542 177.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 60.6 mtt -80.49 72.4 7.39 Favored 'General case' 0 C--N 1.358 0.944 0 O-C-N 118.331 -2.73 . . . . 0.0 115.584 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -125.24 140.48 52.81 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 125.174 1.39 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.289 0.0 OUTLIER -143.21 139.29 30.2 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.91 1.284 . . . . 0.0 108.213 177.826 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -118.58 -28.95 5.55 Favored 'General case' 0 CA--C 1.565 1.55 0 C-N-CA 128.84 2.856 . . . . 0.0 109.897 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.708 0 O-C-N 121.14 -0.975 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.4 tpt . . . . . 0 N--CA 1.504 2.257 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.0 mp0 -95.52 -145.42 0.27 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 129.686 3.194 . . . . 0.0 113.51 -176.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.4 pm0 -69.11 86.5 0.38 Allowed 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 128.523 2.729 . . . . 0.0 114.778 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 12.7 mt -81.06 163.59 23.09 Favored 'General case' 0 C--N 1.352 0.688 0 N-CA-C 120.57 3.544 . . . . 0.0 120.57 -177.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -132.46 -45.0 0.9 Allowed 'General case' 0 C--N 1.347 0.477 0 C-N-CA 127.375 2.27 . . . . 0.0 109.321 178.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -117.18 167.9 10.78 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 128.907 2.883 . . . . 0.0 115.454 -178.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.54 38.38 0.12 Allowed 'General case' 0 CA--C 1.559 1.3 1 C-N-CA 132.359 4.264 . . . . 0.0 114.939 179.781 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.402 ' CD1' ' N ' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -64.69 -50.51 66.73 Favored 'General case' 0 CA--C 1.572 1.806 0 N-CA-C 119.236 3.05 . . . . 0.0 119.236 -177.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.402 ' N ' ' CD1' ' A' ' 8' ' ' TYR 0.66 45.7 mt-10 39.32 64.48 0.82 Allowed 'General case' 0 C--N 1.346 0.444 1 C-N-CA 136.748 6.019 . . . . 0.0 120.773 -177.737 . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.626 69.5 m-20 67.52 35.2 4.28 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 131.432 3.893 . . . . 0.0 117.267 -179.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 65.5 ttp -145.83 130.65 18.1 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 129.063 2.945 . . . . 0.0 104.038 177.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 56.3 mtt -124.97 -57.45 1.52 Allowed 'General case' 0 C--N 1.345 0.371 0 O-C-N 119.632 -1.917 . . . . 0.0 112.739 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -141.92 -64.72 0.43 Allowed 'General case' 0 C--N 1.346 0.431 0 C-N-CA 125.072 1.349 . . . . 0.0 109.927 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.395 3.6 mp0 49.61 51.81 15.75 Favored 'General case' 0 CA--C 1.533 0.297 1 C-N-CA 133.19 4.596 . . . . 0.0 121.016 178.687 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.3 p30 -45.71 -48.43 15.13 Favored 'General case' 0 CA--C 1.568 1.659 0 N-CA-C 117.751 2.5 . . . . 0.0 117.751 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 0.524 0 O-C-N 120.871 -1.143 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.547 ' H1 ' ' CD ' ' A' ' 2' ' ' GLU . 61.2 mtt . . . . . 0 N--CA 1.503 2.206 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.547 ' CD ' ' H1 ' ' A' ' 1' ' ' MET . 12.3 mp0 -99.51 9.48 43.15 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 131.217 3.807 . . . . 0.0 113.2 -177.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -89.95 -14.0 35.02 Favored 'General case' 0 C--N 1.356 0.875 0 C-N-CA 128.666 2.786 . . . . 0.0 113.676 -178.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.9 115.26 27.16 Favored 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 128.048 2.539 . . . . 0.0 112.75 -179.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -131.05 166.92 19.98 Favored 'General case' 0 C--N 1.346 0.447 0 N-CA-C 106.849 -1.538 . . . . 0.0 106.849 177.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -39.22 -55.87 1.6 Allowed 'General case' 0 CA--C 1.537 0.478 1 C-N-CA 133.169 4.588 . . . . 0.0 118.809 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.83 33.85 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.114 1 C-N-CA 133.141 4.576 . . . . 0.0 118.975 -179.84 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.425 ' CG ' ' N ' ' A' ' 9' ' ' GLU 0.324 0.1 OUTLIER -138.65 -71.71 0.41 Allowed 'General case' 0 CA--C 1.544 0.75 0 O-C-N 119.444 -2.035 . . . . 0.0 113.892 -179.899 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.425 ' N ' ' CG ' ' A' ' 8' ' ' TYR 0.657 41.9 mt-10 44.37 30.67 0.5 Allowed 'General case' 0 C--N 1.347 0.461 1 C-N-CA 135.727 5.611 . . . . 0.0 120.707 -176.896 . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -157.95 -74.75 0.09 Allowed 'General case' 0 C--N 1.353 0.734 0 C-N-CA 125.559 1.544 . . . . 0.0 111.619 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 6.5 ttp -150.59 157.87 43.49 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 119.361 -2.087 . . . . 0.0 110.198 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.35 136.98 2.29 Favored 'General case' 0 C--N 1.348 0.502 0 C-N-CA 126.713 2.005 . . . . 0.0 106.647 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.49 ' CD ' ' H ' ' A' ' 13' ' ' GLU . 1.3 pm0 -88.07 68.36 9.12 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 128.996 2.918 . . . . 0.0 115.639 -178.15 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.289 0.0 OUTLIER -75.37 141.01 43.36 Favored 'General case' 0 C--N 1.355 0.815 0 N-CA-C 116.824 2.157 . . . . 0.0 116.824 179.281 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -112.55 -35.52 5.51 Favored 'General case' 0 CA--C 1.563 1.471 0 C-N-CA 129.119 2.968 . . . . 0.0 109.022 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.747 0 O-C-N 121.233 -0.917 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 mmt . . . . . 0 N--CA 1.497 1.906 0 CA-C-O 122.35 1.071 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.3 mp0 -80.52 111.06 16.58 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 131.569 3.948 . . . . 0.0 116.182 -176.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -90.19 107.55 19.2 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 119.855 -1.778 . . . . 0.0 112.112 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.6 mt -124.35 174.17 7.91 Favored 'General case' 0 C--N 1.351 0.641 0 C-N-CA 126.031 1.732 . . . . 0.0 111.037 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -134.86 -27.9 1.24 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 123.457 1.599 . . . . 0.0 109.886 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -93.82 -177.66 4.42 Favored 'General case' 0 N--CA 1.436 -1.152 1 C-N-CA 134.344 5.057 . . . . 0.0 115.462 -178.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -114.02 23.68 12.73 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 130.427 3.491 . . . . 0.0 113.936 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.413 ' CG ' ' N ' ' A' ' 9' ' ' GLU 0.339 0.1 OUTLIER -56.29 -64.8 0.74 Allowed 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 121.405 3.854 . . . . 0.0 121.405 -178.458 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.413 ' N ' ' CG ' ' A' ' 8' ' ' TYR 0.589 52.2 mt-10 40.33 29.15 0.05 Allowed 'General case' 0 CA--C 1.539 0.538 1 C-N-CA 135.349 5.46 . . . . 0.0 121.499 -176.72 . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -151.99 -78.09 0.12 Allowed 'General case' 0 C--N 1.354 0.781 0 C-N-CA 125.732 1.613 . . . . 0.0 112.419 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 10.8 ttt -135.19 131.39 36.66 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 119.271 -2.143 . . . . 0.0 111.391 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 56.1 mtt -78.61 -28.36 45.68 Favored 'General case' 0 C--N 1.359 0.997 0 O-C-N 119.321 -2.112 . . . . 0.0 116.379 -178.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -144.79 125.89 14.59 Favored 'General case' 0 C--N 1.346 0.442 0 N-CA-C 106.224 -1.769 . . . . 0.0 106.224 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -76.48 87.34 3.21 Favored 'General case' 0 C--N 1.349 0.545 0 N-CA-C 120.277 3.436 . . . . 0.0 120.277 -177.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -92.8 66.44 4.33 Favored 'General case' 0 CA--C 1.563 1.473 0 C-N-CA 125.665 1.586 . . . . 0.0 109.293 178.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.737 0 O-C-N 120.756 -1.215 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptp . . . . . 0 N--CA 1.504 2.231 0 CA-C-O 117.278 -1.344 . . . . 0.0 107.877 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -157.51 173.91 16.17 Favored 'General case' 0 C--N 1.347 0.457 0 N-CA-C 103.988 -2.597 . . . . 0.0 103.988 179.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -114.5 -26.07 8.09 Favored 'General case' 0 C--N 1.34 0.176 0 C-N-CA 128.391 2.677 . . . . 0.0 111.451 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -67.43 119.72 12.72 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 130.189 3.396 . . . . 0.0 114.53 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -135.42 -19.75 1.65 Allowed 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.517 1.527 . . . . 0.0 111.41 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.76 140.6 57.86 Favored 'General case' 0 CA--C 1.546 0.823 1 C-N-CA 136.388 5.875 . . . . 0.0 120.019 -177.923 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.62 61.06 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.229 1 C-N-CA 131.858 4.063 . . . . 0.0 116.459 179.279 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.432 ' CG ' ' N ' ' A' ' 9' ' ' GLU 0.326 1.1 p90 -97.07 -71.68 0.67 Allowed 'General case' 0 CA--C 1.553 1.064 0 O-C-N 119.241 -2.162 . . . . 0.0 115.743 -178.346 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.432 ' N ' ' CG ' ' A' ' 8' ' ' TYR 0.562 49.9 mt-10 54.17 77.78 0.18 Allowed 'General case' 0 CA--C 1.536 0.414 1 C-N-CA 133.191 4.596 . . . . 0.0 119.568 -179.069 . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.59 51.3 m-20 55.24 47.19 22.13 Favored 'General case' 0 C--N 1.35 0.618 1 C-N-CA 132.927 4.491 . . . . 0.0 120.713 178.985 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 13.9 ptp -151.75 116.07 5.03 Favored 'General case' 0 C--N 1.347 0.469 0 C-N-CA 128.903 2.881 . . . . 0.0 104.424 177.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.5 mmt -143.0 22.1 1.92 Allowed 'General case' 0 C--N 1.348 0.535 0 O-C-N 119.531 -1.981 . . . . 0.0 110.796 -178.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -78.05 85.29 4.27 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 128.117 2.567 . . . . 0.0 116.689 -177.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -81.84 74.16 8.85 Favored 'General case' 0 C--N 1.355 0.824 0 O-C-N 118.974 -2.329 . . . . 0.0 114.383 179.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -77.31 55.93 1.28 Allowed 'General case' 0 CA--C 1.57 1.738 0 C-N-CA 126.268 1.827 . . . . 0.0 112.726 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.689 0 O-C-N 120.755 -1.216 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.501 2.121 0 CA-C-O 122.387 1.089 . . . . 0.0 112.604 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -102.44 -3.5 26.87 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 131.079 3.752 . . . . 0.0 111.444 -178.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -58.74 59.28 0.0 OUTLIER 'General case' 0 CA--C 1.551 1.003 1 C-N-CA 132.072 4.149 . . . . 0.0 118.909 -178.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 98.7 mt -102.55 176.7 5.09 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 126.267 1.827 . . . . 0.0 113.295 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -154.15 -39.49 0.09 Allowed 'General case' 0 C--N 1.345 0.394 0 O-C-N 120.966 -1.084 . . . . 0.0 110.831 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -105.58 177.55 4.82 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 130.513 3.525 . . . . 0.0 115.191 -177.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.63 48.61 1.39 Allowed 'General case' 0 CA--C 1.548 0.872 1 C-N-CA 131.749 4.02 . . . . 0.0 110.449 178.828 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -51.58 -45.97 63.33 Favored 'General case' 0 CA--C 1.56 1.34 0 C-N-CA 129.747 3.219 . . . . 0.0 118.803 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.587 49.8 mt-10 30.13 71.19 0.07 Allowed 'General case' 0 C--N 1.349 0.544 1 C-N-CA 134.971 5.308 . . . . 0.0 120.471 -177.854 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.598 63.9 m-20 68.05 19.24 9.34 Favored 'General case' 0 C--N 1.35 0.615 1 C-N-CA 132.472 4.309 . . . . 0.0 118.71 179.83 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 48.2 mtt -106.66 108.53 20.09 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 127.95 2.5 . . . . 0.0 105.103 176.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 12.7 mmt -148.98 37.88 0.8 Allowed 'General case' 0 C--N 1.35 0.591 0 C-N-CA 126.586 1.954 . . . . 0.0 110.829 -177.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.463 ' CD ' ' H ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -110.97 -163.55 0.86 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 127.899 2.48 . . . . 0.0 113.068 -178.908 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.275 50.4 mp0 -64.24 60.15 0.02 OUTLIER 'General case' 0 C--N 1.349 0.581 1 N-CA-C 122.653 4.316 . . . . 0.0 122.653 -177.958 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -81.6 64.58 6.37 Favored 'General case' 0 CA--C 1.569 1.699 0 C-N-CA 125.947 1.699 . . . . 0.0 111.93 178.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.687 0 O-C-N 120.56 -1.338 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.421 ' H2 ' ' CD ' ' A' ' 3' ' ' GLU . 76.6 mtm . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 119.886 -0.102 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -153.09 71.31 0.9 Allowed 'General case' 0 C--N 1.349 0.55 0 N-CA-C 105.727 -1.953 . . . . 0.0 105.727 178.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.421 ' CD ' ' H2 ' ' A' ' 1' ' ' MET . 12.9 mp0 -77.18 67.91 3.22 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 127.957 2.503 . . . . 0.0 112.662 -178.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.8 tp -95.24 143.64 26.48 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 131.695 3.998 . . . . 0.0 116.271 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -129.09 -15.97 4.13 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 126.082 1.753 . . . . 0.0 109.847 177.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.88 109.02 11.55 Favored 'General case' 0 N--CA 1.446 -0.628 1 C-N-CA 136.397 5.879 . . . . 0.0 119.368 -177.371 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -50.48 78.02 0.0 OUTLIER 'General case' 0 CA--C 1.56 1.337 0 C-N-CA 130.383 3.473 . . . . 0.0 119.444 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.511 ' CG ' ' N ' ' A' ' 9' ' ' GLU 0.338 0.3 OUTLIER -129.58 -82.1 0.56 Allowed 'General case' 0 CA--C 1.559 1.321 0 O-C-N 119.21 -2.181 . . . . 0.0 113.554 179.888 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.511 ' N ' ' CG ' ' A' ' 8' ' ' TYR 0.725 1.7 mp0 63.37 23.76 13.89 Favored 'General case' 0 N--CA 1.45 -0.467 1 C-N-CA 136.869 6.068 . . . . 0.0 120.866 -179.133 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 46.0 p-10 -143.87 -69.69 0.31 Allowed 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 116.972 2.212 . . . . 0.0 116.972 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 13.1 tpt -133.4 124.45 27.15 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 128.095 2.558 . . . . 0.0 112.745 -178.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 43.5 mtt -78.93 66.86 4.5 Favored 'General case' 0 C--N 1.359 0.989 0 O-C-N 117.875 -3.016 . . . . 0.0 115.363 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -116.21 130.17 56.66 Favored 'General case' 0 C--N 1.348 0.536 0 C-N-CA 126.732 2.013 . . . . 0.0 111.769 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -76.85 68.04 2.99 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 118.453 2.76 . . . . 0.0 118.453 -178.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -84.7 64.43 8.53 Favored 'General case' 0 CA--C 1.569 1.689 0 O-C-N 119.369 -2.082 . . . . 0.0 110.816 178.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.788 0 O-C-N 120.565 -1.335 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.1 mtp . . . . . 0 N--CA 1.479 0.997 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.5 mp0 -98.67 67.18 1.71 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 127.385 2.274 . . . . 0.0 111.452 -179.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.1 mp0 -80.54 45.35 0.77 Allowed 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 127.388 2.275 . . . . 0.0 116.416 -179.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 12.0 tp -78.61 142.88 36.9 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 129.242 3.017 . . . . 0.0 115.901 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -121.19 -179.65 4.12 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 125.775 1.63 . . . . 0.0 110.674 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -47.69 -68.48 0.18 Allowed 'General case' 0 CA--C 1.539 0.533 1 C-N-CA 131.747 4.019 . . . . 0.0 119.968 -179.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.43 9.35 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.002 1 C-N-CA 133.041 4.536 . . . . 0.0 118.957 -179.182 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -63.32 -51.95 63.9 Favored 'General case' 0 CA--C 1.556 1.177 0 N-CA-C 121.032 3.715 . . . . 0.0 121.032 -177.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.616 45.0 mt-10 30.39 68.27 0.1 Allowed 'General case' 0 N--CA 1.471 0.617 1 C-N-CA 133.212 4.605 . . . . 0.0 120.55 -176.138 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.557 70.5 m-20 70.13 15.33 7.62 Favored 'General case' 0 C--N 1.352 0.682 1 C-N-CA 132.691 4.396 . . . . 0.0 117.337 179.989 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 27.9 ttt -126.79 66.21 1.26 Allowed 'General case' 0 C--N 1.35 0.629 0 C-N-CA 126.802 2.041 . . . . 0.0 107.103 177.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 23.7 mtt -57.97 138.18 56.11 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 120.991 3.7 . . . . 0.0 120.991 -178.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -51.6 -45.35 63.17 Favored 'General case' 0 C--N 1.353 0.747 1 C-N-CA 133.272 4.629 . . . . 0.0 117.867 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -59.29 43.21 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.065 1 C-N-CA 131.728 4.011 . . . . 0.0 120.114 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -75.96 70.11 2.64 Favored 'General case' 0 CA--C 1.567 1.624 0 O-C-N 119.205 -2.184 . . . . 0.0 114.554 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.649 0 O-C-N 120.202 -1.561 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.7 ptp . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 116.214 1.931 . . . . 0.0 116.214 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -159.05 61.59 0.41 Allowed 'General case' 0 C--N 1.354 0.8 0 N-CA-C 105.8 -1.926 . . . . 0.0 105.8 179.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.46 -58.2 0.06 Allowed 'General case' 0 C--N 1.349 0.577 0 C-N-CA 125.568 1.547 . . . . 0.0 111.423 -177.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.2 tp -109.73 141.66 42.02 Favored 'General case' 0 N--CA 1.441 -0.918 0 C-N-CA 129.87 3.268 . . . . 0.0 112.633 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -127.17 -14.42 5.44 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.255 1.822 . . . . 0.0 110.03 178.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.39 -179.58 4.62 Favored 'General case' 0 N--CA 1.44 -0.946 1 C-N-CA 135.771 5.628 . . . . 0.0 120.064 -177.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -125.34 130.44 51.96 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 100.493 -3.892 . . . . 0.0 100.493 175.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -157.32 -54.81 0.08 Allowed 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -178.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.71 50.3 mt-10 37.61 83.96 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.542 1 C-N-CA 133.666 4.787 . . . . 0.0 120.857 -176.343 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.544 40.7 m-20 52.68 30.84 9.33 Favored 'General case' 0 C--N 1.352 0.677 1 C-N-CA 134.55 5.14 . . . . 0.0 120.382 179.426 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 24.6 mmt -100.61 11.94 38.43 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 127.849 2.46 . . . . 0.0 110.876 177.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 7.5 ptt? -170.64 169.48 7.14 Favored 'General case' 0 C--N 1.348 0.517 0 C-N-CA 130.338 3.455 . . . . 0.0 103.484 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -114.49 -26.13 8.06 Favored 'General case' 0 C--N 1.346 0.414 0 C-N-CA 125.516 1.526 . . . . 0.0 111.648 178.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -50.06 53.17 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.62 1 C-N-CA 133.385 4.674 . . . . 0.0 121.573 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -77.93 70.35 4.29 Favored 'General case' 0 CA--C 1.571 1.768 0 O-C-N 119.518 -1.989 . . . . 0.0 111.07 178.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.649 0 O-C-N 120.732 -1.23 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.464 ' H2 ' ' CD ' ' A' ' 3' ' ' GLU . 4.0 mpp? . . . . . 0 N--CA 1.485 1.321 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -171.96 77.07 0.05 Allowed 'General case' 0 C--N 1.35 0.589 0 C-N-CA 127.845 2.458 . . . . 0.0 105.395 178.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.464 ' CD ' ' H2 ' ' A' ' 1' ' ' MET . 9.7 mp0 -92.73 56.85 2.74 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 127.778 2.431 . . . . 0.0 112.823 -178.047 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.17 100.89 1.07 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 129.619 3.168 . . . . 0.0 116.485 -179.348 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -135.75 -50.56 0.72 Allowed 'General case' 0 C--N 1.351 0.659 0 O-C-N 120.746 -1.221 . . . . 0.0 113.11 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.37 169.9 17.5 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 128.969 2.908 . . . . 0.0 117.867 -178.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.31 49.16 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.281 1 C-N-CA 132.157 4.183 . . . . 0.0 117.248 179.816 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -68.25 -44.18 76.21 Favored 'General case' 0 CA--C 1.562 1.435 0 C-N-CA 127.986 2.515 . . . . 0.0 117.648 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.605 39.5 mt-10 29.26 68.04 0.09 Allowed 'General case' 0 C--N 1.35 0.628 1 C-N-CA 135.106 5.363 . . . . 0.0 120.114 -176.675 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.477 56.8 m-20 64.58 16.58 10.39 Favored 'General case' 0 C--N 1.354 0.771 1 C-N-CA 132.465 4.306 . . . . 0.0 117.557 -179.639 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 52.0 ttp -98.3 64.73 1.63 Allowed 'General case' 0 C--N 1.353 0.728 0 C-N-CA 126.224 1.81 . . . . 0.0 110.764 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.8 mmt -101.44 64.76 1.02 Allowed 'General case' 0 C--N 1.352 0.714 0 C-N-CA 127.213 2.205 . . . . 0.0 112.809 -179.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -108.44 107.28 17.76 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 123.942 1.83 . . . . 0.0 113.48 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -83.68 66.45 9.01 Favored 'General case' 0 C--N 1.353 0.741 0 O-C-N 118.31 -2.744 . . . . 0.0 115.231 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -71.27 71.77 0.63 Allowed 'General case' 0 CA--C 1.572 1.789 0 N-CA-C 115.701 1.741 . . . . 0.0 115.701 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.653 0 O-C-N 120.355 -1.466 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.531 ' H1 ' ' CD ' ' A' ' 2' ' ' GLU . 27.2 ptm . . . . . 0 N--CA 1.504 2.238 0 CA-C-O 122.324 1.059 . . . . 0.0 113.155 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.531 ' CD ' ' H1 ' ' A' ' 1' ' ' MET . 10.3 mp0 -100.77 -12.73 18.84 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 131.052 3.741 . . . . 0.0 112.046 -177.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.424 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -91.02 -19.3 23.34 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 130.025 3.33 . . . . 0.0 115.827 -179.077 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.6 tp -72.36 141.01 48.77 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 129.076 2.95 . . . . 0.0 117.793 -178.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -121.23 170.67 9.36 Favored 'General case' 0 C--N 1.346 0.427 0 C-N-CA 127.069 2.148 . . . . 0.0 110.628 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -46.71 -65.48 0.55 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 131.658 3.983 . . . . 0.0 119.864 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -65.88 17.78 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.138 1 C-N-CA 131.871 4.068 . . . . 0.0 118.411 179.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -71.89 -53.09 14.28 Favored 'General case' 0 CA--C 1.554 1.129 0 N-CA-C 118.467 2.766 . . . . 0.0 118.467 -179.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.61 45.7 mt-10 36.24 75.12 0.06 Allowed 'General case' 0 C--N 1.348 0.53 1 C-N-CA 133.884 4.874 . . . . 0.0 121.037 -177.43 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.555 67.0 m-20 60.81 26.47 16.31 Favored 'General case' 0 C--N 1.352 0.692 1 C-N-CA 133.01 4.524 . . . . 0.0 119.045 179.441 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 75.0 mtm -125.59 116.05 21.12 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 129.34 3.056 . . . . 0.0 103.4 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 59.3 mtt -128.3 -17.19 4.3 Favored 'General case' 0 C--N 1.345 0.387 0 O-C-N 119.706 -1.871 . . . . 0.0 112.529 -178.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.47 ' CD ' ' H ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -105.87 -68.0 0.9 Allowed 'General case' 0 C--N 1.343 0.314 0 C-N-CA 129.618 3.167 . . . . 0.0 112.652 -179.429 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.423 ' CD ' ' H ' ' A' ' 15' ' ' ASN . 0.6 OUTLIER -79.28 155.23 28.62 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 116.549 2.055 . . . . 0.0 116.549 -179.443 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.423 ' H ' ' CD ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -113.66 -23.12 9.9 Favored 'General case' 0 CA--C 1.565 1.54 0 C-N-CA 126.701 2.0 . . . . 0.0 115.881 -179.776 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.558 0 O-C-N 120.3 -1.5 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptm . . . . . 0 N--CA 1.498 1.938 0 N-CA-C 117.355 2.354 . . . . 0.0 117.355 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.422 ' H ' ' CD ' ' A' ' 2' ' ' GLU . 15.3 mp0 -84.94 -15.72 43.45 Favored 'General case' 0 CA--C 1.543 0.707 1 C-N-CA 133.229 4.612 . . . . 0.0 111.204 -179.662 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -160.54 166.32 29.28 Favored 'General case' 0 C--O 1.24 0.602 1 C-N-CA 134.563 5.145 . . . . 0.0 100.323 178.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.0 tp -77.7 139.96 39.48 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 118.714 2.857 . . . . 0.0 118.714 -178.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -126.86 -8.46 6.08 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 120.485 -1.384 . . . . 0.0 113.831 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -136.15 164.24 28.51 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-O 123.652 1.691 . . . . 0.0 114.943 -177.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.08 38.15 0.17 Allowed 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 130.354 3.462 . . . . 0.0 115.909 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.339 0.2 OUTLIER -59.58 -64.39 0.96 Allowed 'General case' 0 CA--C 1.561 1.387 0 N-CA-C 121.396 3.851 . . . . 0.0 121.396 -177.83 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.587 37.1 mt-10 41.41 71.84 0.19 Allowed 'General case' 0 C--N 1.35 0.59 1 C-N-CA 134.095 4.958 . . . . 0.0 119.489 -177.2 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.483 68.3 m-20 61.63 45.26 8.21 Favored 'General case' 0 C--N 1.355 0.848 1 C-N-CA 132.275 4.23 . . . . 0.0 116.893 179.817 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 59.9 ttp -146.84 104.21 3.7 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 128.649 2.78 . . . . 0.0 106.674 179.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.8 mmt -129.58 -66.04 0.82 Allowed 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 129.046 2.939 . . . . 0.0 111.462 -178.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -133.29 -4.9 3.01 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 120.306 -1.496 . . . . 0.0 114.627 -179.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.7 mp0 -59.8 47.48 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.883 1 C-N-CA 131.958 4.103 . . . . 0.0 120.175 -179.208 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -74.87 69.78 1.89 Allowed 'General case' 0 CA--C 1.57 1.722 0 O-C-N 119.605 -1.935 . . . . 0.0 114.812 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.678 0 O-C-N 120.275 -1.516 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.44 ' H1 ' ' CD ' ' A' ' 2' ' ' GLU . 72.8 mtm . . . . . 0 N--CA 1.505 2.301 0 CA-C-O 122.248 1.023 . . . . 0.0 113.471 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.44 ' CD ' ' H1 ' ' A' ' 1' ' ' MET . 14.3 mp0 -99.02 -13.84 19.71 Favored 'General case' 0 N--CA 1.442 -0.85 1 C-N-CA 132.061 4.145 . . . . 0.0 112.398 -177.62 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.425 ' CD ' ' H3 ' ' A' ' 1' ' ' MET . 15.4 pm0 -69.72 135.91 50.35 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 130.468 3.507 . . . . 0.0 117.122 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.6 tp -93.14 141.98 27.81 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 126.572 1.949 . . . . 0.0 113.549 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -124.13 -21.2 5.09 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 123.935 1.826 . . . . 0.0 109.38 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.82 117.36 10.41 Favored 'General case' 0 N--CA 1.44 -0.968 1 C-N-CA 135.754 5.622 . . . . 0.0 116.263 -178.292 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -71.73 85.13 0.91 Allowed 'General case' 0 CA--C 1.559 1.291 0 C-N-CA 126.679 1.992 . . . . 0.0 112.857 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.282 0.3 OUTLIER -137.85 -63.11 0.58 Allowed 'General case' 0 C--N 1.355 0.821 0 N-CA-C 115.286 1.587 . . . . 0.0 115.286 -177.761 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.624 35.7 mt-10 36.79 72.49 0.11 Allowed 'General case' 0 C--N 1.35 0.619 1 C-N-CA 133.387 4.675 . . . . 0.0 119.715 -176.512 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.465 71.8 m-20 64.24 13.53 7.99 Favored 'General case' 0 C--N 1.353 0.744 1 C-N-CA 132.696 4.398 . . . . 0.0 117.92 -179.781 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 24.2 mmt -85.53 55.58 3.57 Favored 'General case' 0 C--N 1.357 0.899 0 O-C-N 119.781 -1.824 . . . . 0.0 112.988 178.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 16.9 mmt -111.95 -34.16 6.07 Favored 'General case' 0 C--N 1.35 0.608 0 C-N-CA 128.945 2.898 . . . . 0.0 112.432 -179.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -137.33 138.48 40.01 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 120.499 -1.376 . . . . 0.0 108.575 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 -82.31 78.4 8.98 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 116.929 2.196 . . . . 0.0 116.929 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -86.12 70.76 10.6 Favored 'General case' 0 CA--C 1.57 1.73 0 O-C-N 119.145 -2.222 . . . . 0.0 111.761 179.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.76 0 O-C-N 120.297 -1.502 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.0 ttt . . . . . 0 N--CA 1.505 2.28 0 CA-C-O 123.609 1.671 . . . . 0.0 114.231 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.3 mp0 -91.61 -18.32 24.21 Favored 'General case' 0 C--N 1.35 0.61 0 C-N-CA 130.786 3.634 . . . . 0.0 112.474 -177.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.44 -42.21 2.78 Favored 'General case' 0 C--N 1.343 0.283 1 C-N-CA 131.772 4.029 . . . . 0.0 111.389 -179.742 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 27.9 mt -99.37 178.32 4.92 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 128.922 2.889 . . . . 0.0 113.586 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -108.11 -50.69 3.0 Favored 'General case' 0 C--N 1.35 0.618 0 C-N-CA 125.77 1.628 . . . . 0.0 108.305 178.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -116.81 117.33 29.44 Favored 'General case' 0 N--CA 1.437 -1.075 0 C-N-CA 130.626 3.57 . . . . 0.0 104.338 178.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -79.3 66.1 4.66 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-O 124.835 2.255 . . . . 0.0 111.655 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -56.21 -51.04 69.5 Favored 'General case' 0 CA--C 1.554 1.131 1 C-N-CA 133.722 4.809 . . . . 0.0 120.166 -177.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.631 21.0 mt-10 39.46 63.92 0.91 Allowed 'General case' 0 C--N 1.349 0.545 1 C-N-CA 133.302 4.641 . . . . 0.0 118.861 -177.042 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.702 56.0 m-20 79.85 6.72 1.79 Allowed 'General case' 0 C--N 1.35 0.617 1 C-N-CA 133.363 4.665 . . . . 0.0 116.591 -179.656 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.8 mmt -118.51 87.72 2.78 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 128.32 2.648 . . . . 0.0 105.221 176.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 33.2 mtt -68.57 127.17 32.03 Favored 'General case' 0 C--N 1.353 0.748 0 N-CA-C 120.544 3.535 . . . . 0.0 120.544 -177.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -136.25 162.6 32.53 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 130.423 3.489 . . . . 0.0 105.232 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.48 102.21 3.43 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 116.186 1.921 . . . . 0.0 116.186 -178.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -114.2 32.25 6.04 Favored 'General case' 0 CA--C 1.565 1.557 0 O-C-N 120.044 -1.66 . . . . 0.0 112.622 178.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.499 0 O-C-N 119.391 -2.068 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.4 ttt . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -149.09 54.74 0.98 Allowed 'General case' 0 C--N 1.354 0.766 0 CA-C-O 123.244 1.497 . . . . 0.0 109.729 -179.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -83.9 116.54 22.82 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.792 2.037 . . . . 0.0 114.094 -178.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -172.63 -65.95 0.02 OUTLIER 'General case' 0 N--CA 1.433 -1.31 0 C-N-CA 129.233 3.013 . . . . 0.0 104.907 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.6 pm0 -55.56 5.22 0.01 OUTLIER 'General case' 0 C--N 1.362 1.126 0 C-N-CA 130.94 3.696 . . . . 0.0 120.624 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -81.23 -157.84 0.19 Allowed 'General case' 0 CA--C 1.552 1.021 1 C-N-CA 132.111 4.164 . . . . 0.0 110.21 178.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -62.6 48.69 0.01 OUTLIER 'General case' 0 CA--C 1.566 1.575 0 O-C-N 118.237 -2.79 . . . . 0.0 118.355 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.254 0.7 OUTLIER -101.15 -59.58 1.67 Allowed 'General case' 0 C--N 1.354 0.788 0 C-N-CA 127.177 2.191 . . . . 0.0 115.571 -179.091 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.558 50.9 mt-10 37.55 72.45 0.12 Allowed 'General case' 0 C--N 1.347 0.467 1 C-N-CA 133.899 4.88 . . . . 0.0 120.686 -177.546 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.551 67.0 m-20 60.9 28.95 18.69 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 131.671 3.988 . . . . 0.0 119.221 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 33.3 mtt -113.32 105.17 13.09 Favored 'General case' 0 C--N 1.354 0.769 0 C-N-CA 128.643 2.777 . . . . 0.0 103.872 177.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 13.0 mmt -150.62 39.35 0.72 Allowed 'General case' 0 C--N 1.35 0.626 0 C-N-CA 126.655 1.982 . . . . 0.0 110.981 -177.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.403 ' CD ' ' H ' ' A' ' 13' ' ' GLU . 10.1 mp0 -64.38 64.69 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 130.255 3.422 . . . . 0.0 118.218 -178.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.29 0.0 OUTLIER -77.42 141.35 39.8 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 126.627 1.971 . . . . 0.0 116.252 179.706 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -112.39 -34.83 5.76 Favored 'General case' 0 CA--C 1.563 1.466 0 C-N-CA 129.113 2.965 . . . . 0.0 109.092 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.708 0 O-C-N 121.217 -0.927 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.437 ' H1 ' ' CD ' ' A' ' 2' ' ' GLU . 2.5 mpt? . . . . . 0 N--CA 1.496 1.872 0 CA-C-O 122.131 0.967 . . . . 0.0 111.244 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.437 ' CD ' ' H1 ' ' A' ' 1' ' ' MET . 12.4 mp0 -107.44 155.08 20.43 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 128.676 2.79 . . . . 0.0 108.639 -177.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.412 ' HG2' HD22 ' A' ' 15' ' ' ASN . 5.6 mm-40 -24.11 -50.81 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 121.485 3.883 . . . . 0.0 121.485 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -98.98 75.02 2.03 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 127.195 2.198 . . . . 0.0 116.157 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . 0.302 2.0 pt20 -174.1 -59.71 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.725 2.01 . . . . 0.0 110.814 177.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -76.38 -179.04 4.9 Favored 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 128.327 2.651 . . . . 0.0 112.938 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.52 57.94 0.0 OUTLIER 'General case' 0 CA--C 1.564 1.501 0 C-N-CA 129.532 3.133 . . . . 0.0 118.902 -179.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -76.98 -55.42 5.48 Favored 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 118.652 2.834 . . . . 0.0 118.652 -178.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.597 57.6 mt-10 39.36 69.96 0.25 Allowed 'General case' 0 C--N 1.351 0.667 1 C-N-CA 133.909 4.884 . . . . 0.0 119.987 -177.238 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.55 38.3 m-20 61.07 26.24 16.19 Favored 'General case' 0 C--N 1.355 0.831 1 C-N-CA 132.882 4.473 . . . . 0.0 118.024 179.814 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 60.2 ttp -134.37 95.26 3.35 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 126.939 2.096 . . . . 0.0 108.426 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.89 179.24 5.99 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 120.179 -1.576 . . . . 0.0 111.093 -178.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -109.02 -175.37 2.75 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 128.147 2.579 . . . . 0.0 111.458 179.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.262 0.1 OUTLIER -78.77 144.29 35.31 Favored 'General case' 0 C--N 1.349 0.556 0 N-CA-C 117.919 2.563 . . . . 0.0 117.919 -179.654 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.412 HD22 ' HG2' ' A' ' 3' ' ' GLU . 3.2 m120 -127.97 -26.03 2.96 Favored 'General case' 0 CA--C 1.563 1.477 0 C-N-CA 128.092 2.557 . . . . 0.0 109.887 179.372 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.649 0 O-C-N 121.373 -0.83 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.479 ' H3 ' ' CD ' ' A' ' 3' ' ' GLU . 25.1 ttt . . . . . 0 N--CA 1.498 1.965 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -91.76 1.52 57.1 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 129.987 3.315 . . . . 0.0 114.143 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.479 ' CD ' ' H3 ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -98.37 -10.7 23.39 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 128.146 2.578 . . . . 0.0 117.373 -177.724 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -73.33 65.59 0.88 Allowed 'General case' 0 C--N 1.352 0.701 0 N-CA-C 117.351 2.352 . . . . 0.0 117.351 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -155.13 -65.94 0.13 Allowed 'General case' 0 C--N 1.341 0.239 0 C-N-CA 126.858 2.063 . . . . 0.0 109.595 179.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -82.74 -165.09 0.96 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 127.501 2.32 . . . . 0.0 114.394 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.79 52.56 0.02 OUTLIER 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 130.296 3.438 . . . . 0.0 117.697 -179.621 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -68.21 -43.39 78.13 Favored 'General case' 0 CA--C 1.559 1.295 0 C-N-CA 128.399 2.68 . . . . 0.0 117.209 -178.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.595 32.9 mt-10 27.59 70.77 0.05 Allowed 'General case' 0 C--N 1.351 0.667 1 C-N-CA 134.71 5.204 . . . . 0.0 120.746 -176.881 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.6 61.0 m-20 67.45 16.63 10.02 Favored 'General case' 0 C--N 1.351 0.659 1 C-N-CA 133.051 4.541 . . . . 0.0 117.551 -179.821 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 44.3 mtt -107.67 78.37 1.2 Allowed 'General case' 0 C--N 1.353 0.723 0 C-N-CA 126.72 2.008 . . . . 0.0 108.693 177.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 59.1 mtt -98.67 141.09 31.93 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 126.909 2.084 . . . . 0.0 114.514 -178.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -131.61 -157.5 0.83 Allowed 'General case' 0 C--N 1.349 0.587 0 O-C-N 120.722 -1.236 . . . . 0.0 111.694 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -163.39 122.46 2.07 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 120.221 -1.55 . . . . 0.0 111.551 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 64.7 m-80 -122.26 -5.99 8.84 Favored 'General case' 0 CA--C 1.567 1.6 0 C-N-CA 126.085 1.754 . . . . 0.0 111.345 178.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.648 0 O-C-N 120.459 -1.401 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.286 12.8 ptt? . . . . . 0 N--CA 1.486 1.353 0 N-CA-C 111.305 0.113 . . . . 0.0 111.305 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -86.33 -30.75 21.98 Favored 'General case' 0 C--N 1.359 1.01 0 O-C-N 119.813 -1.804 . . . . 0.0 107.681 177.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -107.93 169.6 8.51 Favored 'General case' 0 CA--C 1.543 0.695 1 C-N-CA 133.944 4.898 . . . . 0.0 107.517 176.414 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.24 109.81 21.33 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 118.839 -2.413 . . . . 0.0 115.795 -179.645 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -140.65 -30.14 0.66 Allowed 'General case' 0 C--N 1.349 0.562 0 O-C-N 120.232 -1.543 . . . . 0.0 110.635 176.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.54 145.31 55.77 Favored 'General case' 0 CA--C 1.551 1.004 1 C-N-CA 135.864 5.666 . . . . 0.0 119.51 -178.019 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.03 56.46 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.383 1 C-N-CA 132.769 4.427 . . . . 0.0 117.297 179.651 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.403 ' CG ' ' N ' ' A' ' 9' ' ' GLU 0.259 1.0 OUTLIER -88.35 -61.09 1.79 Allowed 'General case' 0 CA--C 1.554 1.109 0 N-CA-C 120.541 3.534 . . . . 0.0 120.541 -177.366 . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.403 ' N ' ' CG ' ' A' ' 8' ' ' TYR 0.64 48.6 mt-10 50.75 87.18 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.465 1 C-N-CA 133.895 4.878 . . . . 0.0 119.737 -177.027 . . . . . . . . 4 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.488 45.3 m-20 47.7 35.69 4.83 Favored 'General case' 0 C--N 1.351 0.656 1 C-N-CA 134.744 5.218 . . . . 0.0 121.2 179.454 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 38.8 mtt -104.82 15.42 27.86 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 126.167 1.787 . . . . 0.0 111.618 178.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.4 ptt? -172.01 -151.18 0.06 Allowed 'General case' 0 C--N 1.353 0.759 0 C-N-CA 126.112 1.765 . . . . 0.0 109.549 -179.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -144.28 164.76 29.83 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 131.017 3.727 . . . . 0.0 102.893 178.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -55.55 78.64 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.15 0 N-CA-C 119.192 3.034 . . . . 0.0 119.192 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -126.44 75.67 1.56 Allowed 'General case' 0 CA--C 1.563 1.443 0 C-N-CA 126.639 1.976 . . . . 0.0 109.626 -179.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.559 0 O-C-N 120.759 -1.213 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.1 ttp . . . . . 0 N--CA 1.504 2.242 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.436 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 3.1 tm-20 -151.96 -152.83 0.45 Allowed 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 100.998 -3.704 . . . . 0.0 100.998 178.207 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.436 ' H ' ' CD ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -77.61 163.37 26.3 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 122.137 2.244 . . . . 0.0 116.764 179.482 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.8 tp -103.45 179.0 4.4 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 127.689 2.396 . . . . 0.0 115.983 -178.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -160.37 173.21 15.98 Favored 'General case' 0 C--N 1.347 0.473 0 C-N-CA 127.455 2.302 . . . . 0.0 105.095 178.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -45.18 -60.84 1.9 Allowed 'General case' 0 CA--C 1.539 0.547 1 C-N-CA 132.244 4.218 . . . . 0.0 118.342 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -49.18 41.26 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.107 1 C-N-CA 134.693 5.197 . . . . 0.0 120.184 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.323 1.4 p90 -134.18 -69.14 0.54 Allowed 'General case' 0 CA--C 1.544 0.747 0 O-C-N 120.081 -1.637 . . . . 0.0 112.313 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.543 19.9 mt-10 45.93 93.53 0.01 OUTLIER 'General case' 0 C--N 1.35 0.601 1 C-N-CA 133.706 4.802 . . . . 0.0 119.673 -178.923 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.35 58.5 m-20 70.03 5.38 5.25 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 130.431 3.492 . . . . 0.0 116.875 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 14.1 ptm -151.32 140.27 21.01 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 126.716 2.006 . . . . 0.0 108.182 178.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 60.0 mtt -111.08 -74.02 0.66 Allowed 'General case' 0 C--N 1.347 0.49 0 C-N-CA 126.799 2.04 . . . . 0.0 113.014 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -94.45 -35.82 12.15 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 126.543 1.937 . . . . 0.0 111.07 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.457 ' H ' ' CD ' ' A' ' 14' ' ' GLU . 3.5 mp0 -33.07 87.31 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.724 1 C-N-CA 134.589 5.155 . . . . 0.0 120.199 -179.452 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -65.44 62.78 0.03 OUTLIER 'General case' 0 CA--C 1.572 1.793 0 N-CA-C 118.226 2.676 . . . . 0.0 118.226 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.623 0 O-C-N 120.163 -1.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.29 3.9 ppp? . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 125.302 2.477 . . . . 0.0 112.558 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.548 ' H ' ' CD ' ' A' ' 2' ' ' GLU . 11.6 mp0 -80.97 -34.29 33.19 Favored 'General case' 0 N--CA 1.444 -0.728 1 C-N-CA 133.453 4.701 . . . . 0.0 114.718 -176.219 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -102.36 98.05 8.22 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 127.146 2.178 . . . . 0.0 112.36 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.7 tp -91.22 143.38 26.73 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 125.914 1.686 . . . . 0.0 112.299 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.79 158.54 33.09 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 128.718 2.807 . . . . 0.0 107.726 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -53.8 -43.55 69.42 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 129.065 2.946 . . . . 0.0 118.206 -179.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -65.94 8.5 0.19 Allowed 'General case' 0 CA--C 1.555 1.162 1 C-N-CA 132.68 4.392 . . . . 0.0 117.289 178.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -74.55 -53.54 9.23 Favored 'General case' 0 CA--C 1.555 1.159 0 N-CA-C 117.623 2.453 . . . . 0.0 117.623 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.601 43.3 mt-10 37.13 74.09 0.08 Allowed 'General case' 0 C--N 1.349 0.577 1 C-N-CA 133.924 4.89 . . . . 0.0 120.768 -177.422 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.526 68.6 m-20 59.7 31.77 21.05 Favored 'General case' 0 C--N 1.353 0.744 1 C-N-CA 132.606 4.362 . . . . 0.0 118.631 179.529 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 75.2 mtm -135.59 113.7 11.32 Favored 'General case' 0 C--N 1.349 0.565 0 C-N-CA 130.297 3.439 . . . . 0.0 102.571 177.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 55.7 mtt -116.08 -81.89 0.62 Allowed 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 119.671 -1.893 . . . . 0.0 115.442 -177.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -89.78 -32.26 17.03 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 126.924 2.09 . . . . 0.0 113.24 -178.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.501 ' H ' ' CD ' ' A' ' 14' ' ' GLU . 4.1 mp0 -43.42 26.23 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.175 2 C-N-CA 135.461 5.504 . . . . 0.0 121.93 -179.807 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -75.56 66.7 1.96 Allowed 'General case' 0 CA--C 1.568 1.643 0 C-N-CA 127.553 2.341 . . . . 0.0 115.108 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.694 0 O-C-N 120.236 -1.54 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mpp? . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 119.186 -0.435 . . . . 0.0 110.121 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -158.46 58.4 0.45 Allowed 'General case' 0 C--N 1.349 0.57 0 CA-C-O 124.767 2.223 . . . . 0.0 106.483 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.464 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 1.4 pm0 -88.94 64.15 7.05 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 127.193 2.197 . . . . 0.0 112.214 -179.083 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -99.16 160.46 14.25 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 127.899 2.48 . . . . 0.0 115.165 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -126.87 -26.84 3.12 Favored 'General case' 0 C--N 1.345 0.396 0 C-N-CA 125.63 1.572 . . . . 0.0 112.045 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.61 -179.29 3.64 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 128.442 2.697 . . . . 0.0 112.562 -178.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -93.02 37.29 1.03 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 130.622 3.569 . . . . 0.0 113.502 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.267 0.3 OUTLIER -39.15 -57.1 1.37 Allowed 'General case' 0 CA--C 1.561 1.402 1 N-CA-C 123.536 4.643 . . . . 0.0 123.536 -179.224 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.672 45.0 mt-10 41.79 63.43 1.31 Allowed 'General case' 0 C--N 1.348 0.527 1 C-N-CA 133.669 4.788 . . . . 0.0 119.55 -176.331 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.638 67.5 m-20 83.37 0.47 1.1 Allowed 'General case' 0 C--N 1.353 0.748 1 C-N-CA 132.532 4.333 . . . . 0.0 117.569 179.434 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.49 98.63 4.91 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 119.926 -1.734 . . . . 0.0 109.542 177.302 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 60.6 mtt -80.49 72.4 7.39 Favored 'General case' 0 C--N 1.358 0.944 0 O-C-N 118.331 -2.73 . . . . 0.0 115.584 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -125.24 140.48 52.81 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 125.174 1.39 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.289 0.0 OUTLIER -143.21 139.29 30.2 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.91 1.284 . . . . 0.0 108.213 177.826 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -118.58 -28.95 5.55 Favored 'General case' 0 CA--C 1.565 1.55 0 C-N-CA 128.84 2.856 . . . . 0.0 109.897 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.708 0 O-C-N 121.14 -0.975 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.4 tpt . . . . . 0 N--CA 1.504 2.257 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.0 mp0 -95.52 -145.42 0.27 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 129.686 3.194 . . . . 0.0 113.51 -176.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.413 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 8.4 pm0 -69.11 86.5 0.38 Allowed 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 128.523 2.729 . . . . 0.0 114.778 179.517 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 12.7 mt -81.06 163.59 23.09 Favored 'General case' 0 C--N 1.352 0.688 0 N-CA-C 120.57 3.544 . . . . 0.0 120.57 -177.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -132.46 -45.0 0.9 Allowed 'General case' 0 C--N 1.347 0.477 0 C-N-CA 127.375 2.27 . . . . 0.0 109.321 178.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -117.18 167.9 10.78 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 128.907 2.883 . . . . 0.0 115.454 -178.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.54 38.38 0.12 Allowed 'General case' 0 CA--C 1.559 1.3 1 C-N-CA 132.359 4.264 . . . . 0.0 114.939 179.781 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.402 ' CD1' ' N ' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -64.69 -50.51 66.73 Favored 'General case' 0 CA--C 1.572 1.806 0 N-CA-C 119.236 3.05 . . . . 0.0 119.236 -177.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.402 ' N ' ' CD1' ' A' ' 8' ' ' TYR 0.66 45.7 mt-10 39.32 64.48 0.82 Allowed 'General case' 0 C--N 1.346 0.444 1 C-N-CA 136.748 6.019 . . . . 0.0 120.773 -177.737 . . . . . . . . 4 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.626 69.5 m-20 67.52 35.2 4.28 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 131.432 3.893 . . . . 0.0 117.267 -179.541 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 65.5 ttp -145.83 130.65 18.1 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 129.063 2.945 . . . . 0.0 104.038 177.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 56.3 mtt -124.97 -57.45 1.52 Allowed 'General case' 0 C--N 1.345 0.371 0 O-C-N 119.632 -1.917 . . . . 0.0 112.739 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -141.92 -64.72 0.43 Allowed 'General case' 0 C--N 1.346 0.431 0 C-N-CA 125.072 1.349 . . . . 0.0 109.927 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.395 3.6 mp0 49.61 51.81 15.75 Favored 'General case' 0 CA--C 1.533 0.297 1 C-N-CA 133.19 4.596 . . . . 0.0 121.016 178.687 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.3 p30 -45.71 -48.43 15.13 Favored 'General case' 0 CA--C 1.568 1.659 0 N-CA-C 117.751 2.5 . . . . 0.0 117.751 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 0.524 0 O-C-N 120.871 -1.143 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.449 ' H3 ' ' CD ' ' A' ' 2' ' ' GLU . 61.2 mtt . . . . . 0 N--CA 1.503 2.206 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.449 ' CD ' ' H3 ' ' A' ' 1' ' ' MET . 12.3 mp0 -99.51 9.48 43.15 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 131.217 3.807 . . . . 0.0 113.2 -177.502 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -89.95 -14.0 35.02 Favored 'General case' 0 C--N 1.356 0.875 0 C-N-CA 128.666 2.786 . . . . 0.0 113.676 -178.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.9 115.26 27.16 Favored 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 128.048 2.539 . . . . 0.0 112.75 -179.271 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -131.05 166.92 19.98 Favored 'General case' 0 C--N 1.346 0.447 0 N-CA-C 106.849 -1.538 . . . . 0.0 106.849 177.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -39.22 -55.87 1.6 Allowed 'General case' 0 CA--C 1.537 0.478 1 C-N-CA 133.169 4.588 . . . . 0.0 118.809 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.83 33.85 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.114 1 C-N-CA 133.141 4.576 . . . . 0.0 118.975 -179.84 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.425 ' CG ' ' N ' ' A' ' 9' ' ' GLU 0.324 0.1 OUTLIER -138.65 -71.71 0.41 Allowed 'General case' 0 CA--C 1.544 0.75 0 O-C-N 119.444 -2.035 . . . . 0.0 113.892 -179.899 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.425 ' N ' ' CG ' ' A' ' 8' ' ' TYR 0.657 41.9 mt-10 44.37 30.67 0.5 Allowed 'General case' 0 C--N 1.347 0.461 1 C-N-CA 135.727 5.611 . . . . 0.0 120.707 -176.896 . . . . . . . . 4 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -157.95 -74.75 0.09 Allowed 'General case' 0 C--N 1.353 0.734 0 C-N-CA 125.559 1.544 . . . . 0.0 111.619 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 6.5 ttp -150.59 157.87 43.49 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 119.361 -2.087 . . . . 0.0 110.198 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.35 136.98 2.29 Favored 'General case' 0 C--N 1.348 0.502 0 C-N-CA 126.713 2.005 . . . . 0.0 106.647 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.489 ' CD ' ' H ' ' A' ' 13' ' ' GLU . 1.3 pm0 -88.07 68.36 9.12 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 128.996 2.918 . . . . 0.0 115.639 -178.15 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.289 0.0 OUTLIER -75.37 141.01 43.36 Favored 'General case' 0 C--N 1.355 0.815 0 N-CA-C 116.824 2.157 . . . . 0.0 116.824 179.281 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -112.55 -35.52 5.51 Favored 'General case' 0 CA--C 1.563 1.471 0 C-N-CA 129.119 2.968 . . . . 0.0 109.022 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.747 0 O-C-N 121.233 -0.917 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 mmt . . . . . 0 N--CA 1.497 1.906 0 CA-C-O 122.35 1.071 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.3 mp0 -80.52 111.06 16.58 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 131.569 3.948 . . . . 0.0 116.182 -176.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -90.19 107.55 19.2 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 119.855 -1.778 . . . . 0.0 112.112 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.6 mt -124.35 174.17 7.91 Favored 'General case' 0 C--N 1.351 0.641 0 C-N-CA 126.031 1.732 . . . . 0.0 111.037 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -134.86 -27.9 1.24 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 123.457 1.599 . . . . 0.0 109.886 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -93.82 -177.66 4.42 Favored 'General case' 0 N--CA 1.436 -1.152 1 C-N-CA 134.344 5.057 . . . . 0.0 115.462 -178.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -114.02 23.68 12.73 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 130.427 3.491 . . . . 0.0 113.936 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.413 ' CG ' ' N ' ' A' ' 9' ' ' GLU 0.339 0.1 OUTLIER -56.29 -64.8 0.74 Allowed 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 121.405 3.854 . . . . 0.0 121.405 -178.458 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.413 ' N ' ' CG ' ' A' ' 8' ' ' TYR 0.589 52.2 mt-10 40.33 29.15 0.05 Allowed 'General case' 0 CA--C 1.539 0.538 1 C-N-CA 135.349 5.46 . . . . 0.0 121.499 -176.72 . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -151.99 -78.09 0.12 Allowed 'General case' 0 C--N 1.354 0.781 0 C-N-CA 125.732 1.613 . . . . 0.0 112.419 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 10.8 ttt -135.19 131.39 36.66 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 119.271 -2.143 . . . . 0.0 111.391 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 56.1 mtt -78.61 -28.36 45.68 Favored 'General case' 0 C--N 1.359 0.997 0 O-C-N 119.321 -2.112 . . . . 0.0 116.379 -178.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -144.79 125.89 14.59 Favored 'General case' 0 C--N 1.346 0.442 0 N-CA-C 106.224 -1.769 . . . . 0.0 106.224 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -76.48 87.34 3.21 Favored 'General case' 0 C--N 1.349 0.545 0 N-CA-C 120.277 3.436 . . . . 0.0 120.277 -177.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -92.8 66.44 4.33 Favored 'General case' 0 CA--C 1.563 1.473 0 C-N-CA 125.665 1.586 . . . . 0.0 109.293 178.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.737 0 O-C-N 120.756 -1.215 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptp . . . . . 0 N--CA 1.504 2.231 0 CA-C-O 117.278 -1.344 . . . . 0.0 107.877 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -157.51 173.91 16.17 Favored 'General case' 0 C--N 1.347 0.457 0 N-CA-C 103.988 -2.597 . . . . 0.0 103.988 179.364 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -114.5 -26.07 8.09 Favored 'General case' 0 C--N 1.34 0.176 0 C-N-CA 128.391 2.677 . . . . 0.0 111.451 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -67.43 119.72 12.72 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 130.189 3.396 . . . . 0.0 114.53 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -135.42 -19.75 1.65 Allowed 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.517 1.527 . . . . 0.0 111.41 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.76 140.6 57.86 Favored 'General case' 0 CA--C 1.546 0.823 1 C-N-CA 136.388 5.875 . . . . 0.0 120.019 -177.923 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.62 61.06 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.229 1 C-N-CA 131.858 4.063 . . . . 0.0 116.459 179.279 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.432 ' CG ' ' N ' ' A' ' 9' ' ' GLU 0.326 1.1 p90 -97.07 -71.68 0.67 Allowed 'General case' 0 CA--C 1.553 1.064 0 O-C-N 119.241 -2.162 . . . . 0.0 115.743 -178.346 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.432 ' N ' ' CG ' ' A' ' 8' ' ' TYR 0.562 49.9 mt-10 54.17 77.78 0.18 Allowed 'General case' 0 CA--C 1.536 0.414 1 C-N-CA 133.191 4.596 . . . . 0.0 119.568 -179.069 . . . . . . . . 4 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.59 51.3 m-20 55.24 47.19 22.13 Favored 'General case' 0 C--N 1.35 0.618 1 C-N-CA 132.927 4.491 . . . . 0.0 120.713 178.985 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 13.9 ptp -151.75 116.07 5.03 Favored 'General case' 0 C--N 1.347 0.469 0 C-N-CA 128.903 2.881 . . . . 0.0 104.424 177.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.5 mmt -143.0 22.1 1.92 Allowed 'General case' 0 C--N 1.348 0.535 0 O-C-N 119.531 -1.981 . . . . 0.0 110.796 -178.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -78.05 85.29 4.27 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 128.117 2.567 . . . . 0.0 116.689 -177.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -81.84 74.16 8.85 Favored 'General case' 0 C--N 1.355 0.824 0 O-C-N 118.974 -2.329 . . . . 0.0 114.383 179.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -77.31 55.93 1.28 Allowed 'General case' 0 CA--C 1.57 1.738 0 C-N-CA 126.268 1.827 . . . . 0.0 112.726 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.689 0 O-C-N 120.755 -1.216 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.501 2.121 0 CA-C-O 122.387 1.089 . . . . 0.0 112.604 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -102.44 -3.5 26.87 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 131.079 3.752 . . . . 0.0 111.444 -178.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -58.74 59.28 0.0 OUTLIER 'General case' 0 CA--C 1.551 1.003 1 C-N-CA 132.072 4.149 . . . . 0.0 118.909 -178.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 98.7 mt -102.55 176.7 5.09 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 126.267 1.827 . . . . 0.0 113.295 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -154.15 -39.49 0.09 Allowed 'General case' 0 C--N 1.345 0.394 0 O-C-N 120.966 -1.084 . . . . 0.0 110.831 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -105.58 177.55 4.82 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 130.513 3.525 . . . . 0.0 115.191 -177.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.63 48.61 1.39 Allowed 'General case' 0 CA--C 1.548 0.872 1 C-N-CA 131.749 4.02 . . . . 0.0 110.449 178.828 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -51.58 -45.97 63.33 Favored 'General case' 0 CA--C 1.56 1.34 0 C-N-CA 129.747 3.219 . . . . 0.0 118.803 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.587 49.8 mt-10 30.13 71.19 0.07 Allowed 'General case' 0 C--N 1.349 0.544 1 C-N-CA 134.971 5.308 . . . . 0.0 120.471 -177.854 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.598 63.9 m-20 68.05 19.24 9.34 Favored 'General case' 0 C--N 1.35 0.615 1 C-N-CA 132.472 4.309 . . . . 0.0 118.71 179.83 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 48.2 mtt -106.66 108.53 20.09 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 127.95 2.5 . . . . 0.0 105.103 176.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 12.7 mmt -148.98 37.88 0.8 Allowed 'General case' 0 C--N 1.35 0.591 0 C-N-CA 126.586 1.954 . . . . 0.0 110.829 -177.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.465 ' CD ' ' H ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -110.97 -163.55 0.86 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 127.899 2.48 . . . . 0.0 113.068 -178.908 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.275 50.4 mp0 -64.24 60.15 0.02 OUTLIER 'General case' 0 C--N 1.349 0.581 1 N-CA-C 122.653 4.316 . . . . 0.0 122.653 -177.958 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -81.6 64.58 6.37 Favored 'General case' 0 CA--C 1.569 1.699 0 C-N-CA 125.947 1.699 . . . . 0.0 111.93 178.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.687 0 O-C-N 120.56 -1.338 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.6 mtm . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 119.886 -0.102 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -153.09 71.31 0.9 Allowed 'General case' 0 C--N 1.349 0.55 0 N-CA-C 105.727 -1.953 . . . . 0.0 105.727 178.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 -77.18 67.91 3.22 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 127.957 2.503 . . . . 0.0 112.662 -178.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.8 tp -95.24 143.64 26.48 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 131.695 3.998 . . . . 0.0 116.271 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -129.09 -15.97 4.13 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 126.082 1.753 . . . . 0.0 109.847 177.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.88 109.02 11.55 Favored 'General case' 0 N--CA 1.446 -0.628 1 C-N-CA 136.397 5.879 . . . . 0.0 119.368 -177.371 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -50.48 78.02 0.0 OUTLIER 'General case' 0 CA--C 1.56 1.337 0 C-N-CA 130.383 3.473 . . . . 0.0 119.444 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.511 ' CG ' ' N ' ' A' ' 9' ' ' GLU 0.338 0.3 OUTLIER -129.58 -82.1 0.56 Allowed 'General case' 0 CA--C 1.559 1.321 0 O-C-N 119.21 -2.181 . . . . 0.0 113.554 179.888 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.511 ' N ' ' CG ' ' A' ' 8' ' ' TYR 0.725 1.7 mp0 63.37 23.76 13.89 Favored 'General case' 0 N--CA 1.45 -0.467 1 C-N-CA 136.869 6.068 . . . . 0.0 120.866 -179.133 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 46.0 p-10 -143.87 -69.69 0.31 Allowed 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 116.972 2.212 . . . . 0.0 116.972 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 13.1 tpt -133.4 124.45 27.15 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 128.095 2.558 . . . . 0.0 112.745 -178.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 43.5 mtt -78.93 66.86 4.5 Favored 'General case' 0 C--N 1.359 0.989 0 O-C-N 117.875 -3.016 . . . . 0.0 115.363 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -116.21 130.17 56.66 Favored 'General case' 0 C--N 1.348 0.536 0 C-N-CA 126.732 2.013 . . . . 0.0 111.769 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -76.85 68.04 2.99 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 118.453 2.76 . . . . 0.0 118.453 -178.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -84.7 64.43 8.53 Favored 'General case' 0 CA--C 1.569 1.689 0 O-C-N 119.369 -2.082 . . . . 0.0 110.816 178.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.788 0 O-C-N 120.565 -1.335 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.1 mtp . . . . . 0 N--CA 1.479 0.997 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.5 mp0 -98.67 67.18 1.71 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 127.385 2.274 . . . . 0.0 111.452 -179.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.1 mp0 -80.54 45.35 0.77 Allowed 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 127.388 2.275 . . . . 0.0 116.416 -179.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 12.0 tp -78.61 142.88 36.9 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 129.242 3.017 . . . . 0.0 115.901 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -121.19 -179.65 4.12 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 125.775 1.63 . . . . 0.0 110.674 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -47.69 -68.48 0.18 Allowed 'General case' 0 CA--C 1.539 0.533 1 C-N-CA 131.747 4.019 . . . . 0.0 119.968 -179.092 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.43 9.35 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.002 1 C-N-CA 133.041 4.536 . . . . 0.0 118.957 -179.182 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -63.32 -51.95 63.9 Favored 'General case' 0 CA--C 1.556 1.177 0 N-CA-C 121.032 3.715 . . . . 0.0 121.032 -177.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.616 45.0 mt-10 30.39 68.27 0.1 Allowed 'General case' 0 N--CA 1.471 0.617 1 C-N-CA 133.212 4.605 . . . . 0.0 120.55 -176.138 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.557 70.5 m-20 70.13 15.33 7.62 Favored 'General case' 0 C--N 1.352 0.682 1 C-N-CA 132.691 4.396 . . . . 0.0 117.337 179.989 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 27.9 ttt -126.79 66.21 1.26 Allowed 'General case' 0 C--N 1.35 0.629 0 C-N-CA 126.802 2.041 . . . . 0.0 107.103 177.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 23.7 mtt -57.97 138.18 56.11 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 120.991 3.7 . . . . 0.0 120.991 -178.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -51.6 -45.35 63.17 Favored 'General case' 0 C--N 1.353 0.747 1 C-N-CA 133.272 4.629 . . . . 0.0 117.867 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -59.29 43.21 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.065 1 C-N-CA 131.728 4.011 . . . . 0.0 120.114 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -75.96 70.11 2.64 Favored 'General case' 0 CA--C 1.567 1.624 0 O-C-N 119.205 -2.184 . . . . 0.0 114.554 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.649 0 O-C-N 120.202 -1.561 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.7 ptp . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 116.214 1.931 . . . . 0.0 116.214 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -159.05 61.59 0.41 Allowed 'General case' 0 C--N 1.354 0.8 0 N-CA-C 105.8 -1.926 . . . . 0.0 105.8 179.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.46 -58.2 0.06 Allowed 'General case' 0 C--N 1.349 0.577 0 C-N-CA 125.568 1.547 . . . . 0.0 111.423 -177.402 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.2 tp -109.73 141.66 42.02 Favored 'General case' 0 N--CA 1.441 -0.918 0 C-N-CA 129.87 3.268 . . . . 0.0 112.633 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -127.17 -14.42 5.44 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.255 1.822 . . . . 0.0 110.03 178.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.39 -179.58 4.62 Favored 'General case' 0 N--CA 1.44 -0.946 1 C-N-CA 135.771 5.628 . . . . 0.0 120.064 -177.258 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -125.34 130.44 51.96 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 100.493 -3.892 . . . . 0.0 100.493 175.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -157.32 -54.81 0.08 Allowed 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -178.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.71 50.3 mt-10 37.61 83.96 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.542 1 C-N-CA 133.666 4.787 . . . . 0.0 120.857 -176.343 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.544 40.7 m-20 52.68 30.84 9.33 Favored 'General case' 0 C--N 1.352 0.677 1 C-N-CA 134.55 5.14 . . . . 0.0 120.382 179.426 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 24.6 mmt -100.61 11.94 38.43 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 127.849 2.46 . . . . 0.0 110.876 177.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 7.5 ptt? -170.64 169.48 7.14 Favored 'General case' 0 C--N 1.348 0.517 0 C-N-CA 130.338 3.455 . . . . 0.0 103.484 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -114.49 -26.13 8.06 Favored 'General case' 0 C--N 1.346 0.414 0 C-N-CA 125.516 1.526 . . . . 0.0 111.648 178.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -50.06 53.17 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.62 1 C-N-CA 133.385 4.674 . . . . 0.0 121.573 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -77.93 70.35 4.29 Favored 'General case' 0 CA--C 1.571 1.768 0 O-C-N 119.518 -1.989 . . . . 0.0 111.07 178.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.649 0 O-C-N 120.732 -1.23 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mpp? . . . . . 0 N--CA 1.485 1.321 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -171.96 77.07 0.05 Allowed 'General case' 0 C--N 1.35 0.589 0 C-N-CA 127.845 2.458 . . . . 0.0 105.395 178.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -92.73 56.85 2.74 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 127.778 2.431 . . . . 0.0 112.823 -178.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.17 100.89 1.07 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 129.619 3.168 . . . . 0.0 116.485 -179.348 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -135.75 -50.56 0.72 Allowed 'General case' 0 C--N 1.351 0.659 0 O-C-N 120.746 -1.221 . . . . 0.0 113.11 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.37 169.9 17.5 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 128.969 2.908 . . . . 0.0 117.867 -178.019 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.31 49.16 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.281 1 C-N-CA 132.157 4.183 . . . . 0.0 117.248 179.816 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -68.25 -44.18 76.21 Favored 'General case' 0 CA--C 1.562 1.435 0 C-N-CA 127.986 2.515 . . . . 0.0 117.648 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.605 39.5 mt-10 29.26 68.04 0.09 Allowed 'General case' 0 C--N 1.35 0.628 1 C-N-CA 135.106 5.363 . . . . 0.0 120.114 -176.675 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.477 56.8 m-20 64.58 16.58 10.39 Favored 'General case' 0 C--N 1.354 0.771 1 C-N-CA 132.465 4.306 . . . . 0.0 117.557 -179.639 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 52.0 ttp -98.3 64.73 1.63 Allowed 'General case' 0 C--N 1.353 0.728 0 C-N-CA 126.224 1.81 . . . . 0.0 110.764 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.8 mmt -101.44 64.76 1.02 Allowed 'General case' 0 C--N 1.352 0.714 0 C-N-CA 127.213 2.205 . . . . 0.0 112.809 -179.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -108.44 107.28 17.76 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 123.942 1.83 . . . . 0.0 113.48 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -83.68 66.45 9.01 Favored 'General case' 0 C--N 1.353 0.741 0 O-C-N 118.31 -2.744 . . . . 0.0 115.231 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -71.27 71.77 0.63 Allowed 'General case' 0 CA--C 1.572 1.789 0 N-CA-C 115.701 1.741 . . . . 0.0 115.701 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.653 0 O-C-N 120.355 -1.466 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ptm . . . . . 0 N--CA 1.504 2.238 0 CA-C-O 122.324 1.059 . . . . 0.0 113.155 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -100.77 -12.73 18.84 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 131.052 3.741 . . . . 0.0 112.046 -177.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.477 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -91.02 -19.3 23.34 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 130.025 3.33 . . . . 0.0 115.827 -179.077 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.6 tp -72.36 141.01 48.77 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 129.076 2.95 . . . . 0.0 117.793 -178.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -121.23 170.67 9.36 Favored 'General case' 0 C--N 1.346 0.427 0 C-N-CA 127.069 2.148 . . . . 0.0 110.628 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -46.71 -65.48 0.55 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 131.658 3.983 . . . . 0.0 119.864 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -65.88 17.78 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.138 1 C-N-CA 131.871 4.068 . . . . 0.0 118.411 179.75 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -71.89 -53.09 14.28 Favored 'General case' 0 CA--C 1.554 1.129 0 N-CA-C 118.467 2.766 . . . . 0.0 118.467 -179.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.61 45.7 mt-10 36.24 75.12 0.06 Allowed 'General case' 0 C--N 1.348 0.53 1 C-N-CA 133.884 4.874 . . . . 0.0 121.037 -177.43 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.555 67.0 m-20 60.81 26.47 16.31 Favored 'General case' 0 C--N 1.352 0.692 1 C-N-CA 133.01 4.524 . . . . 0.0 119.045 179.441 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 75.0 mtm -125.59 116.05 21.12 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 129.34 3.056 . . . . 0.0 103.4 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 59.3 mtt -128.3 -17.19 4.3 Favored 'General case' 0 C--N 1.345 0.387 0 O-C-N 119.706 -1.871 . . . . 0.0 112.529 -178.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.492 ' CD ' ' H ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -105.87 -68.0 0.9 Allowed 'General case' 0 C--N 1.343 0.314 0 C-N-CA 129.618 3.167 . . . . 0.0 112.652 -179.429 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.28 155.23 28.62 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 116.549 2.055 . . . . 0.0 116.549 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -113.66 -23.12 9.9 Favored 'General case' 0 CA--C 1.565 1.54 0 C-N-CA 126.701 2.0 . . . . 0.0 115.881 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.558 0 O-C-N 120.3 -1.5 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptm . . . . . 0 N--CA 1.498 1.938 0 N-CA-C 117.355 2.354 . . . . 0.0 117.355 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.3 mp0 -84.94 -15.72 43.45 Favored 'General case' 0 CA--C 1.543 0.707 1 C-N-CA 133.229 4.612 . . . . 0.0 111.204 -179.662 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -160.54 166.32 29.28 Favored 'General case' 0 C--O 1.24 0.602 1 C-N-CA 134.563 5.145 . . . . 0.0 100.323 178.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.0 tp -77.7 139.96 39.48 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 118.714 2.857 . . . . 0.0 118.714 -178.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -126.86 -8.46 6.08 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 120.485 -1.384 . . . . 0.0 113.831 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -136.15 164.24 28.51 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-O 123.652 1.691 . . . . 0.0 114.943 -177.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.08 38.15 0.17 Allowed 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 130.354 3.462 . . . . 0.0 115.909 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.339 0.2 OUTLIER -59.58 -64.39 0.96 Allowed 'General case' 0 CA--C 1.561 1.387 0 N-CA-C 121.396 3.851 . . . . 0.0 121.396 -177.83 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.587 37.1 mt-10 41.41 71.84 0.19 Allowed 'General case' 0 C--N 1.35 0.59 1 C-N-CA 134.095 4.958 . . . . 0.0 119.489 -177.2 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.483 68.3 m-20 61.63 45.26 8.21 Favored 'General case' 0 C--N 1.355 0.848 1 C-N-CA 132.275 4.23 . . . . 0.0 116.893 179.817 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 59.9 ttp -146.84 104.21 3.7 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 128.649 2.78 . . . . 0.0 106.674 179.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.8 mmt -129.58 -66.04 0.82 Allowed 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 129.046 2.939 . . . . 0.0 111.462 -178.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -133.29 -4.9 3.01 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 120.306 -1.496 . . . . 0.0 114.627 -179.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.7 mp0 -59.8 47.48 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.883 1 C-N-CA 131.958 4.103 . . . . 0.0 120.175 -179.208 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -74.87 69.78 1.89 Allowed 'General case' 0 CA--C 1.57 1.722 0 O-C-N 119.605 -1.935 . . . . 0.0 114.812 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.678 0 O-C-N 120.275 -1.516 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.8 mtm . . . . . 0 N--CA 1.505 2.301 0 CA-C-O 122.248 1.023 . . . . 0.0 113.471 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -99.02 -13.84 19.71 Favored 'General case' 0 N--CA 1.442 -0.85 1 C-N-CA 132.061 4.145 . . . . 0.0 112.398 -177.62 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.4 pm0 -69.72 135.91 50.35 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 130.468 3.507 . . . . 0.0 117.122 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.6 tp -93.14 141.98 27.81 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 126.572 1.949 . . . . 0.0 113.549 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -124.13 -21.2 5.09 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 123.935 1.826 . . . . 0.0 109.38 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.82 117.36 10.41 Favored 'General case' 0 N--CA 1.44 -0.968 1 C-N-CA 135.754 5.622 . . . . 0.0 116.263 -178.292 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -71.73 85.13 0.91 Allowed 'General case' 0 CA--C 1.559 1.291 0 C-N-CA 126.679 1.992 . . . . 0.0 112.857 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.282 0.3 OUTLIER -137.85 -63.11 0.58 Allowed 'General case' 0 C--N 1.355 0.821 0 N-CA-C 115.286 1.587 . . . . 0.0 115.286 -177.761 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.624 35.7 mt-10 36.79 72.49 0.11 Allowed 'General case' 0 C--N 1.35 0.619 1 C-N-CA 133.387 4.675 . . . . 0.0 119.715 -176.512 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.465 71.8 m-20 64.24 13.53 7.99 Favored 'General case' 0 C--N 1.353 0.744 1 C-N-CA 132.696 4.398 . . . . 0.0 117.92 -179.781 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 24.2 mmt -85.53 55.58 3.57 Favored 'General case' 0 C--N 1.357 0.899 0 O-C-N 119.781 -1.824 . . . . 0.0 112.988 178.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 16.9 mmt -111.95 -34.16 6.07 Favored 'General case' 0 C--N 1.35 0.608 0 C-N-CA 128.945 2.898 . . . . 0.0 112.432 -179.076 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -137.33 138.48 40.01 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 120.499 -1.376 . . . . 0.0 108.575 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 -82.31 78.4 8.98 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 116.929 2.196 . . . . 0.0 116.929 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -86.12 70.76 10.6 Favored 'General case' 0 CA--C 1.57 1.73 0 O-C-N 119.145 -2.222 . . . . 0.0 111.761 179.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.76 0 O-C-N 120.297 -1.502 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.0 ttt . . . . . 0 N--CA 1.505 2.28 0 CA-C-O 123.609 1.671 . . . . 0.0 114.231 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.3 mp0 -91.61 -18.32 24.21 Favored 'General case' 0 C--N 1.35 0.61 0 C-N-CA 130.786 3.634 . . . . 0.0 112.474 -177.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.44 -42.21 2.78 Favored 'General case' 0 C--N 1.343 0.283 1 C-N-CA 131.772 4.029 . . . . 0.0 111.389 -179.742 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 27.9 mt -99.37 178.32 4.92 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 128.922 2.889 . . . . 0.0 113.586 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -108.11 -50.69 3.0 Favored 'General case' 0 C--N 1.35 0.618 0 C-N-CA 125.77 1.628 . . . . 0.0 108.305 178.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -116.81 117.33 29.44 Favored 'General case' 0 N--CA 1.437 -1.075 0 C-N-CA 130.626 3.57 . . . . 0.0 104.338 178.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -79.3 66.1 4.66 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-O 124.835 2.255 . . . . 0.0 111.655 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -56.21 -51.04 69.5 Favored 'General case' 0 CA--C 1.554 1.131 1 C-N-CA 133.722 4.809 . . . . 0.0 120.166 -177.572 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.631 21.0 mt-10 39.46 63.92 0.91 Allowed 'General case' 0 C--N 1.349 0.545 1 C-N-CA 133.302 4.641 . . . . 0.0 118.861 -177.042 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.702 56.0 m-20 79.85 6.72 1.79 Allowed 'General case' 0 C--N 1.35 0.617 1 C-N-CA 133.363 4.665 . . . . 0.0 116.591 -179.656 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.8 mmt -118.51 87.72 2.78 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 128.32 2.648 . . . . 0.0 105.221 176.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 33.2 mtt -68.57 127.17 32.03 Favored 'General case' 0 C--N 1.353 0.748 0 N-CA-C 120.544 3.535 . . . . 0.0 120.544 -177.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -136.25 162.6 32.53 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 130.423 3.489 . . . . 0.0 105.232 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.48 102.21 3.43 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 116.186 1.921 . . . . 0.0 116.186 -178.461 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -114.2 32.25 6.04 Favored 'General case' 0 CA--C 1.565 1.557 0 O-C-N 120.044 -1.66 . . . . 0.0 112.622 178.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.499 0 O-C-N 119.391 -2.068 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.4 ttt . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -149.09 54.74 0.98 Allowed 'General case' 0 C--N 1.354 0.766 0 CA-C-O 123.244 1.497 . . . . 0.0 109.729 -179.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -83.9 116.54 22.82 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.792 2.037 . . . . 0.0 114.094 -178.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -172.63 -65.95 0.02 OUTLIER 'General case' 0 N--CA 1.433 -1.31 0 C-N-CA 129.233 3.013 . . . . 0.0 104.907 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.6 pm0 -55.56 5.22 0.01 OUTLIER 'General case' 0 C--N 1.362 1.126 0 C-N-CA 130.94 3.696 . . . . 0.0 120.624 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -81.23 -157.84 0.19 Allowed 'General case' 0 CA--C 1.552 1.021 1 C-N-CA 132.111 4.164 . . . . 0.0 110.21 178.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -62.6 48.69 0.01 OUTLIER 'General case' 0 CA--C 1.566 1.575 0 O-C-N 118.237 -2.79 . . . . 0.0 118.355 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.254 0.7 OUTLIER -101.15 -59.58 1.67 Allowed 'General case' 0 C--N 1.354 0.788 0 C-N-CA 127.177 2.191 . . . . 0.0 115.571 -179.091 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.558 50.9 mt-10 37.55 72.45 0.12 Allowed 'General case' 0 C--N 1.347 0.467 1 C-N-CA 133.899 4.88 . . . . 0.0 120.686 -177.546 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.551 67.0 m-20 60.9 28.95 18.69 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 131.671 3.988 . . . . 0.0 119.221 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 33.3 mtt -113.32 105.17 13.09 Favored 'General case' 0 C--N 1.354 0.769 0 C-N-CA 128.643 2.777 . . . . 0.0 103.872 177.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 13.0 mmt -150.62 39.35 0.72 Allowed 'General case' 0 C--N 1.35 0.626 0 C-N-CA 126.655 1.982 . . . . 0.0 110.981 -177.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -64.38 64.69 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 130.255 3.422 . . . . 0.0 118.218 -178.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.29 0.0 OUTLIER -77.42 141.35 39.8 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 126.627 1.971 . . . . 0.0 116.252 179.706 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -112.39 -34.83 5.76 Favored 'General case' 0 CA--C 1.563 1.466 0 C-N-CA 129.113 2.965 . . . . 0.0 109.092 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.708 0 O-C-N 121.217 -0.927 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 mpt? . . . . . 0 N--CA 1.496 1.872 0 CA-C-O 122.131 0.967 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -107.44 155.08 20.43 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 128.676 2.79 . . . . 0.0 108.639 -177.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -24.11 -50.81 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 121.485 3.883 . . . . 0.0 121.485 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -98.98 75.02 2.03 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 127.195 2.198 . . . . 0.0 116.157 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . 0.302 2.0 pt20 -174.1 -59.71 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.725 2.01 . . . . 0.0 110.814 177.476 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -76.38 -179.04 4.9 Favored 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 128.327 2.651 . . . . 0.0 112.938 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.52 57.94 0.0 OUTLIER 'General case' 0 CA--C 1.564 1.501 0 C-N-CA 129.532 3.133 . . . . 0.0 118.902 -179.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -76.98 -55.42 5.48 Favored 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 118.652 2.834 . . . . 0.0 118.652 -178.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.597 57.6 mt-10 39.36 69.96 0.25 Allowed 'General case' 0 C--N 1.351 0.667 1 C-N-CA 133.909 4.884 . . . . 0.0 119.987 -177.238 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.55 38.3 m-20 61.07 26.24 16.19 Favored 'General case' 0 C--N 1.355 0.831 1 C-N-CA 132.882 4.473 . . . . 0.0 118.024 179.814 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 60.2 ttp -134.37 95.26 3.35 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 126.939 2.096 . . . . 0.0 108.426 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.89 179.24 5.99 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 120.179 -1.576 . . . . 0.0 111.093 -178.593 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -109.02 -175.37 2.75 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 128.147 2.579 . . . . 0.0 111.458 179.149 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.262 0.1 OUTLIER -78.77 144.29 35.31 Favored 'General case' 0 C--N 1.349 0.556 0 N-CA-C 117.919 2.563 . . . . 0.0 117.919 -179.654 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 58.0 m-20 -127.97 -26.03 2.96 Favored 'General case' 0 CA--C 1.563 1.477 0 C-N-CA 128.092 2.557 . . . . 0.0 109.887 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.649 0 O-C-N 121.373 -0.83 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.424 ' H2 ' ' CD ' ' A' ' 3' ' ' GLU . 25.1 ttt . . . . . 0 N--CA 1.498 1.965 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -91.76 1.52 57.1 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 129.987 3.315 . . . . 0.0 114.143 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.424 ' CD ' ' H2 ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -98.37 -10.7 23.39 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 128.146 2.578 . . . . 0.0 117.373 -177.724 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.441 HD21 ' HE2' ' A' ' 12' ' ' MET . 3.7 mm? -73.33 65.59 0.88 Allowed 'General case' 0 C--N 1.352 0.701 0 N-CA-C 117.351 2.352 . . . . 0.0 117.351 -179.52 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -155.13 -65.94 0.13 Allowed 'General case' 0 C--N 1.341 0.239 0 C-N-CA 126.858 2.063 . . . . 0.0 109.595 179.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -82.74 -165.09 0.96 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 127.501 2.32 . . . . 0.0 114.394 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.79 52.56 0.02 OUTLIER 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 130.296 3.438 . . . . 0.0 117.697 -179.621 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -68.21 -43.39 78.13 Favored 'General case' 0 CA--C 1.559 1.295 0 C-N-CA 128.399 2.68 . . . . 0.0 117.209 -178.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.595 32.9 mt-10 27.59 70.77 0.05 Allowed 'General case' 0 C--N 1.351 0.667 1 C-N-CA 134.71 5.204 . . . . 0.0 120.746 -176.881 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.6 61.0 m-20 67.45 16.63 10.02 Favored 'General case' 0 C--N 1.351 0.659 1 C-N-CA 133.051 4.541 . . . . 0.0 117.551 -179.821 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 44.3 mtt -107.67 78.37 1.2 Allowed 'General case' 0 C--N 1.353 0.723 0 C-N-CA 126.72 2.008 . . . . 0.0 108.693 177.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.441 ' HE2' HD21 ' A' ' 4' ' ' LEU . 59.1 mtt -98.67 141.09 31.93 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 126.909 2.084 . . . . 0.0 114.514 -178.623 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -131.61 -157.5 0.83 Allowed 'General case' 0 C--N 1.349 0.587 0 O-C-N 120.722 -1.236 . . . . 0.0 111.694 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -163.39 122.46 2.07 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 120.221 -1.55 . . . . 0.0 111.551 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 64.7 m-80 -122.26 -5.99 8.84 Favored 'General case' 0 CA--C 1.567 1.6 0 C-N-CA 126.085 1.754 . . . . 0.0 111.345 178.179 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.648 0 O-C-N 120.459 -1.401 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.286 12.8 ptt? . . . . . 0 N--CA 1.486 1.353 0 N-CA-C 111.305 0.113 . . . . 0.0 111.305 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -86.33 -30.75 21.98 Favored 'General case' 0 C--N 1.359 1.01 0 O-C-N 119.813 -1.804 . . . . 0.0 107.681 177.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -107.93 169.6 8.51 Favored 'General case' 0 CA--C 1.543 0.695 1 C-N-CA 133.944 4.898 . . . . 0.0 107.517 176.414 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.418 HD11 ' CE1' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -93.24 109.81 21.33 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 118.839 -2.413 . . . . 0.0 115.795 -179.645 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -140.65 -30.14 0.66 Allowed 'General case' 0 C--N 1.349 0.562 0 O-C-N 120.232 -1.543 . . . . 0.0 110.635 176.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.54 145.31 55.77 Favored 'General case' 0 CA--C 1.551 1.004 1 C-N-CA 135.864 5.666 . . . . 0.0 119.51 -178.019 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.03 56.46 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.383 1 C-N-CA 132.769 4.427 . . . . 0.0 117.297 179.651 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.418 ' CE1' HD11 ' A' ' 4' ' ' LEU 0.259 1.0 OUTLIER -88.35 -61.09 1.79 Allowed 'General case' 0 CA--C 1.554 1.109 0 N-CA-C 120.541 3.534 . . . . 0.0 120.541 -177.366 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.403 ' N ' ' CG ' ' A' ' 8' ' ' TYR 0.64 48.6 mt-10 50.75 87.18 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.465 1 C-N-CA 133.895 4.878 . . . . 0.0 119.737 -177.027 . . . . . . . . 4 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.488 45.3 m-20 47.7 35.69 4.83 Favored 'General case' 0 C--N 1.351 0.656 1 C-N-CA 134.744 5.218 . . . . 0.0 121.2 179.454 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 38.8 mtt -104.82 15.42 27.86 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 126.167 1.787 . . . . 0.0 111.618 178.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.4 ptt? -172.01 -151.18 0.06 Allowed 'General case' 0 C--N 1.353 0.759 0 C-N-CA 126.112 1.765 . . . . 0.0 109.549 -179.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -144.28 164.76 29.83 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 131.017 3.727 . . . . 0.0 102.893 178.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -55.55 78.64 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.15 0 N-CA-C 119.192 3.034 . . . . 0.0 119.192 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -126.44 75.67 1.56 Allowed 'General case' 0 CA--C 1.563 1.443 0 C-N-CA 126.639 1.976 . . . . 0.0 109.626 -179.304 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.559 0 O-C-N 120.759 -1.213 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.426 ' HG2' ' H ' ' A' ' 2' ' ' GLU . 32.1 ttp . . . . . 0 N--CA 1.504 2.242 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.426 ' H ' ' HG2' ' A' ' 1' ' ' MET . 3.1 tm-20 -151.96 -152.83 0.45 Allowed 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 100.998 -3.704 . . . . 0.0 100.998 178.207 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.426 ' H ' ' CD ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -77.61 163.37 26.3 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 122.137 2.244 . . . . 0.0 116.764 179.482 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.8 tp -103.45 179.0 4.4 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 127.689 2.396 . . . . 0.0 115.983 -178.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -160.37 173.21 15.98 Favored 'General case' 0 C--N 1.347 0.473 0 C-N-CA 127.455 2.302 . . . . 0.0 105.095 178.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -45.18 -60.84 1.9 Allowed 'General case' 0 CA--C 1.539 0.547 1 C-N-CA 132.244 4.218 . . . . 0.0 118.342 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -49.18 41.26 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.107 1 C-N-CA 134.693 5.197 . . . . 0.0 120.184 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.323 1.4 p90 -134.18 -69.14 0.54 Allowed 'General case' 0 CA--C 1.544 0.747 0 O-C-N 120.081 -1.637 . . . . 0.0 112.313 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.543 19.9 mt-10 45.93 93.53 0.01 OUTLIER 'General case' 0 C--N 1.35 0.601 1 C-N-CA 133.706 4.802 . . . . 0.0 119.673 -178.923 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.35 58.5 m-20 70.03 5.38 5.25 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 130.431 3.492 . . . . 0.0 116.875 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 14.1 ptm -151.32 140.27 21.01 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 126.716 2.006 . . . . 0.0 108.182 178.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 60.0 mtt -111.08 -74.02 0.66 Allowed 'General case' 0 C--N 1.347 0.49 0 C-N-CA 126.799 2.04 . . . . 0.0 113.014 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -94.45 -35.82 12.15 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 126.543 1.937 . . . . 0.0 111.07 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.513 ' H ' ' CD ' ' A' ' 14' ' ' GLU . 3.5 mp0 -33.07 87.31 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.724 1 C-N-CA 134.589 5.155 . . . . 0.0 120.199 -179.452 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -65.44 62.78 0.03 OUTLIER 'General case' 0 CA--C 1.572 1.793 0 N-CA-C 118.226 2.676 . . . . 0.0 118.226 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.623 0 O-C-N 120.163 -1.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.29 3.9 ppp? . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 125.302 2.477 . . . . 0.0 112.558 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.479 ' H ' ' CD ' ' A' ' 2' ' ' GLU . 11.6 mp0 -80.97 -34.29 33.19 Favored 'General case' 0 N--CA 1.444 -0.728 1 C-N-CA 133.453 4.701 . . . . 0.0 114.718 -176.219 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -102.36 98.05 8.22 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 127.146 2.178 . . . . 0.0 112.36 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.7 tp -91.22 143.38 26.73 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 125.914 1.686 . . . . 0.0 112.299 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.79 158.54 33.09 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 128.718 2.807 . . . . 0.0 107.726 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -53.8 -43.55 69.42 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 129.065 2.946 . . . . 0.0 118.206 -179.21 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -65.94 8.5 0.19 Allowed 'General case' 0 CA--C 1.555 1.162 1 C-N-CA 132.68 4.392 . . . . 0.0 117.289 178.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -74.55 -53.54 9.23 Favored 'General case' 0 CA--C 1.555 1.159 0 N-CA-C 117.623 2.453 . . . . 0.0 117.623 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.601 43.3 mt-10 37.13 74.09 0.08 Allowed 'General case' 0 C--N 1.349 0.577 1 C-N-CA 133.924 4.89 . . . . 0.0 120.768 -177.422 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.526 68.6 m-20 59.7 31.77 21.05 Favored 'General case' 0 C--N 1.353 0.744 1 C-N-CA 132.606 4.362 . . . . 0.0 118.631 179.529 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 75.2 mtm -135.59 113.7 11.32 Favored 'General case' 0 C--N 1.349 0.565 0 C-N-CA 130.297 3.439 . . . . 0.0 102.571 177.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 55.7 mtt -116.08 -81.89 0.62 Allowed 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 119.671 -1.893 . . . . 0.0 115.442 -177.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -89.78 -32.26 17.03 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 126.924 2.09 . . . . 0.0 113.24 -178.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.549 ' H ' ' CD ' ' A' ' 14' ' ' GLU . 4.1 mp0 -43.42 26.23 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.175 2 C-N-CA 135.461 5.504 . . . . 0.0 121.93 -179.807 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -75.56 66.7 1.96 Allowed 'General case' 0 CA--C 1.568 1.643 0 C-N-CA 127.553 2.341 . . . . 0.0 115.108 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.694 0 O-C-N 120.236 -1.54 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mpp? . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 119.186 -0.435 . . . . 0.0 110.121 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -158.46 58.4 0.45 Allowed 'General case' 0 C--N 1.349 0.57 0 CA-C-O 124.767 2.223 . . . . 0.0 106.483 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.464 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 1.4 pm0 -88.94 64.15 7.05 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 127.193 2.197 . . . . 0.0 112.214 -179.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -99.16 160.46 14.25 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 127.899 2.48 . . . . 0.0 115.165 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -126.87 -26.84 3.12 Favored 'General case' 0 C--N 1.345 0.396 0 C-N-CA 125.63 1.572 . . . . 0.0 112.045 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.61 -179.29 3.64 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 128.442 2.697 . . . . 0.0 112.562 -178.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -93.02 37.29 1.03 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 130.622 3.569 . . . . 0.0 113.502 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.267 0.3 OUTLIER -39.15 -57.1 1.37 Allowed 'General case' 0 CA--C 1.561 1.402 1 N-CA-C 123.536 4.643 . . . . 0.0 123.536 -179.224 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.672 45.0 mt-10 41.79 63.43 1.31 Allowed 'General case' 0 C--N 1.348 0.527 1 C-N-CA 133.669 4.788 . . . . 0.0 119.55 -176.331 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.638 67.5 m-20 83.37 0.47 1.1 Allowed 'General case' 0 C--N 1.353 0.748 1 C-N-CA 132.532 4.333 . . . . 0.0 117.569 179.434 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.49 98.63 4.91 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 119.926 -1.734 . . . . 0.0 109.542 177.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 60.6 mtt -80.49 72.4 7.39 Favored 'General case' 0 C--N 1.358 0.944 0 O-C-N 118.331 -2.73 . . . . 0.0 115.584 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -125.24 140.48 52.81 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 125.174 1.39 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.289 0.0 OUTLIER -143.21 139.29 30.2 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.91 1.284 . . . . 0.0 108.213 177.826 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -118.58 -28.95 5.55 Favored 'General case' 0 CA--C 1.565 1.55 0 C-N-CA 128.84 2.856 . . . . 0.0 109.897 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.708 0 O-C-N 121.14 -0.975 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.4 tpt . . . . . 0 N--CA 1.504 2.257 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.0 mp0 -95.52 -145.42 0.27 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 129.686 3.194 . . . . 0.0 113.51 -176.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.413 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 8.4 pm0 -69.11 86.5 0.38 Allowed 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 128.523 2.729 . . . . 0.0 114.778 179.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 12.7 mt -81.06 163.59 23.09 Favored 'General case' 0 C--N 1.352 0.688 0 N-CA-C 120.57 3.544 . . . . 0.0 120.57 -177.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -132.46 -45.0 0.9 Allowed 'General case' 0 C--N 1.347 0.477 0 C-N-CA 127.375 2.27 . . . . 0.0 109.321 178.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -117.18 167.9 10.78 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 128.907 2.883 . . . . 0.0 115.454 -178.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.54 38.38 0.12 Allowed 'General case' 0 CA--C 1.559 1.3 1 C-N-CA 132.359 4.264 . . . . 0.0 114.939 179.781 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.402 ' CD1' ' N ' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -64.69 -50.51 66.73 Favored 'General case' 0 CA--C 1.572 1.806 0 N-CA-C 119.236 3.05 . . . . 0.0 119.236 -177.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.402 ' N ' ' CD1' ' A' ' 8' ' ' TYR 0.66 45.7 mt-10 39.32 64.48 0.82 Allowed 'General case' 0 C--N 1.346 0.444 1 C-N-CA 136.748 6.019 . . . . 0.0 120.773 -177.737 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.626 69.5 m-20 67.52 35.2 4.28 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 131.432 3.893 . . . . 0.0 117.267 -179.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 65.5 ttp -145.83 130.65 18.1 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 129.063 2.945 . . . . 0.0 104.038 177.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 56.3 mtt -124.97 -57.45 1.52 Allowed 'General case' 0 C--N 1.345 0.371 0 O-C-N 119.632 -1.917 . . . . 0.0 112.739 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -141.92 -64.72 0.43 Allowed 'General case' 0 C--N 1.346 0.431 0 C-N-CA 125.072 1.349 . . . . 0.0 109.927 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.395 3.6 mp0 49.61 51.81 15.75 Favored 'General case' 0 CA--C 1.533 0.297 1 C-N-CA 133.19 4.596 . . . . 0.0 121.016 178.687 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.3 p30 -45.71 -48.43 15.13 Favored 'General case' 0 CA--C 1.568 1.659 0 N-CA-C 117.751 2.5 . . . . 0.0 117.751 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 0.524 0 O-C-N 120.871 -1.143 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.449 ' H3 ' ' CD ' ' A' ' 2' ' ' GLU . 61.2 mtt . . . . . 0 N--CA 1.503 2.206 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.449 ' CD ' ' H3 ' ' A' ' 1' ' ' MET . 12.3 mp0 -99.51 9.48 43.15 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 131.217 3.807 . . . . 0.0 113.2 -177.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -89.95 -14.0 35.02 Favored 'General case' 0 C--N 1.356 0.875 0 C-N-CA 128.666 2.786 . . . . 0.0 113.676 -178.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.9 115.26 27.16 Favored 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 128.048 2.539 . . . . 0.0 112.75 -179.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -131.05 166.92 19.98 Favored 'General case' 0 C--N 1.346 0.447 0 N-CA-C 106.849 -1.538 . . . . 0.0 106.849 177.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -39.22 -55.87 1.6 Allowed 'General case' 0 CA--C 1.537 0.478 1 C-N-CA 133.169 4.588 . . . . 0.0 118.809 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.83 33.85 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.114 1 C-N-CA 133.141 4.576 . . . . 0.0 118.975 -179.84 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.425 ' CG ' ' N ' ' A' ' 9' ' ' GLU 0.324 0.1 OUTLIER -138.65 -71.71 0.41 Allowed 'General case' 0 CA--C 1.544 0.75 0 O-C-N 119.444 -2.035 . . . . 0.0 113.892 -179.899 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.425 ' N ' ' CG ' ' A' ' 8' ' ' TYR 0.657 41.9 mt-10 44.37 30.67 0.5 Allowed 'General case' 0 C--N 1.347 0.461 1 C-N-CA 135.727 5.611 . . . . 0.0 120.707 -176.896 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -157.95 -74.75 0.09 Allowed 'General case' 0 C--N 1.353 0.734 0 C-N-CA 125.559 1.544 . . . . 0.0 111.619 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 6.5 ttp -150.59 157.87 43.49 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 119.361 -2.087 . . . . 0.0 110.198 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.35 136.98 2.29 Favored 'General case' 0 C--N 1.348 0.502 0 C-N-CA 126.713 2.005 . . . . 0.0 106.647 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.489 ' CD ' ' H ' ' A' ' 13' ' ' GLU . 1.3 pm0 -88.07 68.36 9.12 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 128.996 2.918 . . . . 0.0 115.639 -178.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.289 0.0 OUTLIER -75.37 141.01 43.36 Favored 'General case' 0 C--N 1.355 0.815 0 N-CA-C 116.824 2.157 . . . . 0.0 116.824 179.281 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -112.55 -35.52 5.51 Favored 'General case' 0 CA--C 1.563 1.471 0 C-N-CA 129.119 2.968 . . . . 0.0 109.022 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.747 0 O-C-N 121.233 -0.917 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 mmt . . . . . 0 N--CA 1.497 1.906 0 CA-C-O 122.35 1.071 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.3 mp0 -80.52 111.06 16.58 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 131.569 3.948 . . . . 0.0 116.182 -176.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -90.19 107.55 19.2 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 119.855 -1.778 . . . . 0.0 112.112 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.6 mt -124.35 174.17 7.91 Favored 'General case' 0 C--N 1.351 0.641 0 C-N-CA 126.031 1.732 . . . . 0.0 111.037 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -134.86 -27.9 1.24 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 123.457 1.599 . . . . 0.0 109.886 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -93.82 -177.66 4.42 Favored 'General case' 0 N--CA 1.436 -1.152 1 C-N-CA 134.344 5.057 . . . . 0.0 115.462 -178.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -114.02 23.68 12.73 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 130.427 3.491 . . . . 0.0 113.936 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.413 ' CG ' ' N ' ' A' ' 9' ' ' GLU 0.339 0.1 OUTLIER -56.29 -64.8 0.74 Allowed 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 121.405 3.854 . . . . 0.0 121.405 -178.458 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.413 ' N ' ' CG ' ' A' ' 8' ' ' TYR 0.589 52.2 mt-10 40.33 29.15 0.05 Allowed 'General case' 0 CA--C 1.539 0.538 1 C-N-CA 135.349 5.46 . . . . 0.0 121.499 -176.72 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -151.99 -78.09 0.12 Allowed 'General case' 0 C--N 1.354 0.781 0 C-N-CA 125.732 1.613 . . . . 0.0 112.419 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 10.8 ttt -135.19 131.39 36.66 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 119.271 -2.143 . . . . 0.0 111.391 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 56.1 mtt -78.61 -28.36 45.68 Favored 'General case' 0 C--N 1.359 0.997 0 O-C-N 119.321 -2.112 . . . . 0.0 116.379 -178.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -144.79 125.89 14.59 Favored 'General case' 0 C--N 1.346 0.442 0 N-CA-C 106.224 -1.769 . . . . 0.0 106.224 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -76.48 87.34 3.21 Favored 'General case' 0 C--N 1.349 0.545 0 N-CA-C 120.277 3.436 . . . . 0.0 120.277 -177.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -92.8 66.44 4.33 Favored 'General case' 0 CA--C 1.563 1.473 0 C-N-CA 125.665 1.586 . . . . 0.0 109.293 178.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.737 0 O-C-N 120.756 -1.215 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptp . . . . . 0 N--CA 1.504 2.231 0 CA-C-O 117.278 -1.344 . . . . 0.0 107.877 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -157.51 173.91 16.17 Favored 'General case' 0 C--N 1.347 0.457 0 N-CA-C 103.988 -2.597 . . . . 0.0 103.988 179.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -114.5 -26.07 8.09 Favored 'General case' 0 C--N 1.34 0.176 0 C-N-CA 128.391 2.677 . . . . 0.0 111.451 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -67.43 119.72 12.72 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 130.189 3.396 . . . . 0.0 114.53 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -135.42 -19.75 1.65 Allowed 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.517 1.527 . . . . 0.0 111.41 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.76 140.6 57.86 Favored 'General case' 0 CA--C 1.546 0.823 1 C-N-CA 136.388 5.875 . . . . 0.0 120.019 -177.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.62 61.06 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.229 1 C-N-CA 131.858 4.063 . . . . 0.0 116.459 179.279 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.432 ' CG ' ' N ' ' A' ' 9' ' ' GLU 0.326 1.1 p90 -97.07 -71.68 0.67 Allowed 'General case' 0 CA--C 1.553 1.064 0 O-C-N 119.241 -2.162 . . . . 0.0 115.743 -178.346 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.432 ' N ' ' CG ' ' A' ' 8' ' ' TYR 0.562 49.9 mt-10 54.17 77.78 0.18 Allowed 'General case' 0 CA--C 1.536 0.414 1 C-N-CA 133.191 4.596 . . . . 0.0 119.568 -179.069 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.59 51.3 m-20 55.24 47.19 22.13 Favored 'General case' 0 C--N 1.35 0.618 1 C-N-CA 132.927 4.491 . . . . 0.0 120.713 178.985 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 13.9 ptp -151.75 116.07 5.03 Favored 'General case' 0 C--N 1.347 0.469 0 C-N-CA 128.903 2.881 . . . . 0.0 104.424 177.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.5 mmt -143.0 22.1 1.92 Allowed 'General case' 0 C--N 1.348 0.535 0 O-C-N 119.531 -1.981 . . . . 0.0 110.796 -178.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -78.05 85.29 4.27 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 128.117 2.567 . . . . 0.0 116.689 -177.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -81.84 74.16 8.85 Favored 'General case' 0 C--N 1.355 0.824 0 O-C-N 118.974 -2.329 . . . . 0.0 114.383 179.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -77.31 55.93 1.28 Allowed 'General case' 0 CA--C 1.57 1.738 0 C-N-CA 126.268 1.827 . . . . 0.0 112.726 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.689 0 O-C-N 120.755 -1.216 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.501 2.121 0 CA-C-O 122.387 1.089 . . . . 0.0 112.604 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -102.44 -3.5 26.87 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 131.079 3.752 . . . . 0.0 111.444 -178.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -58.74 59.28 0.0 OUTLIER 'General case' 0 CA--C 1.551 1.003 1 C-N-CA 132.072 4.149 . . . . 0.0 118.909 -178.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 98.7 mt -102.55 176.7 5.09 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 126.267 1.827 . . . . 0.0 113.295 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -154.15 -39.49 0.09 Allowed 'General case' 0 C--N 1.345 0.394 0 O-C-N 120.966 -1.084 . . . . 0.0 110.831 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -105.58 177.55 4.82 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 130.513 3.525 . . . . 0.0 115.191 -177.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.63 48.61 1.39 Allowed 'General case' 0 CA--C 1.548 0.872 1 C-N-CA 131.749 4.02 . . . . 0.0 110.449 178.828 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -51.58 -45.97 63.33 Favored 'General case' 0 CA--C 1.56 1.34 0 C-N-CA 129.747 3.219 . . . . 0.0 118.803 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.587 49.8 mt-10 30.13 71.19 0.07 Allowed 'General case' 0 C--N 1.349 0.544 1 C-N-CA 134.971 5.308 . . . . 0.0 120.471 -177.854 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.598 63.9 m-20 68.05 19.24 9.34 Favored 'General case' 0 C--N 1.35 0.615 1 C-N-CA 132.472 4.309 . . . . 0.0 118.71 179.83 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 48.2 mtt -106.66 108.53 20.09 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 127.95 2.5 . . . . 0.0 105.103 176.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 12.7 mmt -148.98 37.88 0.8 Allowed 'General case' 0 C--N 1.35 0.591 0 C-N-CA 126.586 1.954 . . . . 0.0 110.829 -177.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.465 ' CD ' ' H ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -110.97 -163.55 0.86 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 127.899 2.48 . . . . 0.0 113.068 -178.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.275 50.4 mp0 -64.24 60.15 0.02 OUTLIER 'General case' 0 C--N 1.349 0.581 1 N-CA-C 122.653 4.316 . . . . 0.0 122.653 -177.958 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -81.6 64.58 6.37 Favored 'General case' 0 CA--C 1.569 1.699 0 C-N-CA 125.947 1.699 . . . . 0.0 111.93 178.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.687 0 O-C-N 120.56 -1.338 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.6 mtm . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 119.886 -0.102 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -153.09 71.31 0.9 Allowed 'General case' 0 C--N 1.349 0.55 0 N-CA-C 105.727 -1.953 . . . . 0.0 105.727 178.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 -77.18 67.91 3.22 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 127.957 2.503 . . . . 0.0 112.662 -178.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.8 tp -95.24 143.64 26.48 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 131.695 3.998 . . . . 0.0 116.271 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -129.09 -15.97 4.13 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 126.082 1.753 . . . . 0.0 109.847 177.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.88 109.02 11.55 Favored 'General case' 0 N--CA 1.446 -0.628 1 C-N-CA 136.397 5.879 . . . . 0.0 119.368 -177.371 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -50.48 78.02 0.0 OUTLIER 'General case' 0 CA--C 1.56 1.337 0 C-N-CA 130.383 3.473 . . . . 0.0 119.444 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.511 ' CG ' ' N ' ' A' ' 9' ' ' GLU 0.338 0.3 OUTLIER -129.58 -82.1 0.56 Allowed 'General case' 0 CA--C 1.559 1.321 0 O-C-N 119.21 -2.181 . . . . 0.0 113.554 179.888 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.511 ' N ' ' CG ' ' A' ' 8' ' ' TYR 0.725 1.7 mp0 63.37 23.76 13.89 Favored 'General case' 0 N--CA 1.45 -0.467 1 C-N-CA 136.869 6.068 . . . . 0.0 120.866 -179.133 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 46.0 p-10 -143.87 -69.69 0.31 Allowed 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 116.972 2.212 . . . . 0.0 116.972 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 13.1 tpt -133.4 124.45 27.15 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 128.095 2.558 . . . . 0.0 112.745 -178.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 43.5 mtt -78.93 66.86 4.5 Favored 'General case' 0 C--N 1.359 0.989 0 O-C-N 117.875 -3.016 . . . . 0.0 115.363 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -116.21 130.17 56.66 Favored 'General case' 0 C--N 1.348 0.536 0 C-N-CA 126.732 2.013 . . . . 0.0 111.769 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -76.85 68.04 2.99 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 118.453 2.76 . . . . 0.0 118.453 -178.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -84.7 64.43 8.53 Favored 'General case' 0 CA--C 1.569 1.689 0 O-C-N 119.369 -2.082 . . . . 0.0 110.816 178.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.788 0 O-C-N 120.565 -1.335 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.1 mtp . . . . . 0 N--CA 1.479 0.997 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.5 mp0 -98.67 67.18 1.71 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 127.385 2.274 . . . . 0.0 111.452 -179.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.1 mp0 -80.54 45.35 0.77 Allowed 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 127.388 2.275 . . . . 0.0 116.416 -179.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 12.0 tp -78.61 142.88 36.9 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 129.242 3.017 . . . . 0.0 115.901 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -121.19 -179.65 4.12 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 125.775 1.63 . . . . 0.0 110.674 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -47.69 -68.48 0.18 Allowed 'General case' 0 CA--C 1.539 0.533 1 C-N-CA 131.747 4.019 . . . . 0.0 119.968 -179.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.43 9.35 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.002 1 C-N-CA 133.041 4.536 . . . . 0.0 118.957 -179.182 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -63.32 -51.95 63.9 Favored 'General case' 0 CA--C 1.556 1.177 0 N-CA-C 121.032 3.715 . . . . 0.0 121.032 -177.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.616 45.0 mt-10 30.39 68.27 0.1 Allowed 'General case' 0 N--CA 1.471 0.617 1 C-N-CA 133.212 4.605 . . . . 0.0 120.55 -176.138 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.557 70.5 m-20 70.13 15.33 7.62 Favored 'General case' 0 C--N 1.352 0.682 1 C-N-CA 132.691 4.396 . . . . 0.0 117.337 179.989 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 27.9 ttt -126.79 66.21 1.26 Allowed 'General case' 0 C--N 1.35 0.629 0 C-N-CA 126.802 2.041 . . . . 0.0 107.103 177.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 23.7 mtt -57.97 138.18 56.11 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 120.991 3.7 . . . . 0.0 120.991 -178.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -51.6 -45.35 63.17 Favored 'General case' 0 C--N 1.353 0.747 1 C-N-CA 133.272 4.629 . . . . 0.0 117.867 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -59.29 43.21 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.065 1 C-N-CA 131.728 4.011 . . . . 0.0 120.114 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -75.96 70.11 2.64 Favored 'General case' 0 CA--C 1.567 1.624 0 O-C-N 119.205 -2.184 . . . . 0.0 114.554 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.649 0 O-C-N 120.202 -1.561 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.7 ptp . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 116.214 1.931 . . . . 0.0 116.214 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -159.05 61.59 0.41 Allowed 'General case' 0 C--N 1.354 0.8 0 N-CA-C 105.8 -1.926 . . . . 0.0 105.8 179.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.46 -58.2 0.06 Allowed 'General case' 0 C--N 1.349 0.577 0 C-N-CA 125.568 1.547 . . . . 0.0 111.423 -177.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.2 tp -109.73 141.66 42.02 Favored 'General case' 0 N--CA 1.441 -0.918 0 C-N-CA 129.87 3.268 . . . . 0.0 112.633 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -127.17 -14.42 5.44 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.255 1.822 . . . . 0.0 110.03 178.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.39 -179.58 4.62 Favored 'General case' 0 N--CA 1.44 -0.946 1 C-N-CA 135.771 5.628 . . . . 0.0 120.064 -177.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -125.34 130.44 51.96 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 100.493 -3.892 . . . . 0.0 100.493 175.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -157.32 -54.81 0.08 Allowed 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -178.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.71 50.3 mt-10 37.61 83.96 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.542 1 C-N-CA 133.666 4.787 . . . . 0.0 120.857 -176.343 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.544 40.7 m-20 52.68 30.84 9.33 Favored 'General case' 0 C--N 1.352 0.677 1 C-N-CA 134.55 5.14 . . . . 0.0 120.382 179.426 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 24.6 mmt -100.61 11.94 38.43 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 127.849 2.46 . . . . 0.0 110.876 177.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 7.5 ptt? -170.64 169.48 7.14 Favored 'General case' 0 C--N 1.348 0.517 0 C-N-CA 130.338 3.455 . . . . 0.0 103.484 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -114.49 -26.13 8.06 Favored 'General case' 0 C--N 1.346 0.414 0 C-N-CA 125.516 1.526 . . . . 0.0 111.648 178.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -50.06 53.17 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.62 1 C-N-CA 133.385 4.674 . . . . 0.0 121.573 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -77.93 70.35 4.29 Favored 'General case' 0 CA--C 1.571 1.768 0 O-C-N 119.518 -1.989 . . . . 0.0 111.07 178.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.649 0 O-C-N 120.732 -1.23 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mpp? . . . . . 0 N--CA 1.485 1.321 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -171.96 77.07 0.05 Allowed 'General case' 0 C--N 1.35 0.589 0 C-N-CA 127.845 2.458 . . . . 0.0 105.395 178.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -92.73 56.85 2.74 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 127.778 2.431 . . . . 0.0 112.823 -178.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.17 100.89 1.07 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 129.619 3.168 . . . . 0.0 116.485 -179.348 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -135.75 -50.56 0.72 Allowed 'General case' 0 C--N 1.351 0.659 0 O-C-N 120.746 -1.221 . . . . 0.0 113.11 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.37 169.9 17.5 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 128.969 2.908 . . . . 0.0 117.867 -178.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.31 49.16 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.281 1 C-N-CA 132.157 4.183 . . . . 0.0 117.248 179.816 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -68.25 -44.18 76.21 Favored 'General case' 0 CA--C 1.562 1.435 0 C-N-CA 127.986 2.515 . . . . 0.0 117.648 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.605 39.5 mt-10 29.26 68.04 0.09 Allowed 'General case' 0 C--N 1.35 0.628 1 C-N-CA 135.106 5.363 . . . . 0.0 120.114 -176.675 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.477 56.8 m-20 64.58 16.58 10.39 Favored 'General case' 0 C--N 1.354 0.771 1 C-N-CA 132.465 4.306 . . . . 0.0 117.557 -179.639 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 52.0 ttp -98.3 64.73 1.63 Allowed 'General case' 0 C--N 1.353 0.728 0 C-N-CA 126.224 1.81 . . . . 0.0 110.764 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.8 mmt -101.44 64.76 1.02 Allowed 'General case' 0 C--N 1.352 0.714 0 C-N-CA 127.213 2.205 . . . . 0.0 112.809 -179.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -108.44 107.28 17.76 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 123.942 1.83 . . . . 0.0 113.48 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -83.68 66.45 9.01 Favored 'General case' 0 C--N 1.353 0.741 0 O-C-N 118.31 -2.744 . . . . 0.0 115.231 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -71.27 71.77 0.63 Allowed 'General case' 0 CA--C 1.572 1.789 0 N-CA-C 115.701 1.741 . . . . 0.0 115.701 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.653 0 O-C-N 120.355 -1.466 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ptm . . . . . 0 N--CA 1.504 2.238 0 CA-C-O 122.324 1.059 . . . . 0.0 113.155 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -100.77 -12.73 18.84 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 131.052 3.741 . . . . 0.0 112.046 -177.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.477 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -91.02 -19.3 23.34 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 130.025 3.33 . . . . 0.0 115.827 -179.077 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.6 tp -72.36 141.01 48.77 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 129.076 2.95 . . . . 0.0 117.793 -178.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -121.23 170.67 9.36 Favored 'General case' 0 C--N 1.346 0.427 0 C-N-CA 127.069 2.148 . . . . 0.0 110.628 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -46.71 -65.48 0.55 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 131.658 3.983 . . . . 0.0 119.864 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -65.88 17.78 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.138 1 C-N-CA 131.871 4.068 . . . . 0.0 118.411 179.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -71.89 -53.09 14.28 Favored 'General case' 0 CA--C 1.554 1.129 0 N-CA-C 118.467 2.766 . . . . 0.0 118.467 -179.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.61 45.7 mt-10 36.24 75.12 0.06 Allowed 'General case' 0 C--N 1.348 0.53 1 C-N-CA 133.884 4.874 . . . . 0.0 121.037 -177.43 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.555 67.0 m-20 60.81 26.47 16.31 Favored 'General case' 0 C--N 1.352 0.692 1 C-N-CA 133.01 4.524 . . . . 0.0 119.045 179.441 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 75.0 mtm -125.59 116.05 21.12 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 129.34 3.056 . . . . 0.0 103.4 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 59.3 mtt -128.3 -17.19 4.3 Favored 'General case' 0 C--N 1.345 0.387 0 O-C-N 119.706 -1.871 . . . . 0.0 112.529 -178.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.492 ' CD ' ' H ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -105.87 -68.0 0.9 Allowed 'General case' 0 C--N 1.343 0.314 0 C-N-CA 129.618 3.167 . . . . 0.0 112.652 -179.429 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.28 155.23 28.62 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 116.549 2.055 . . . . 0.0 116.549 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -113.66 -23.12 9.9 Favored 'General case' 0 CA--C 1.565 1.54 0 C-N-CA 126.701 2.0 . . . . 0.0 115.881 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.558 0 O-C-N 120.3 -1.5 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptm . . . . . 0 N--CA 1.498 1.938 0 N-CA-C 117.355 2.354 . . . . 0.0 117.355 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.3 mp0 -84.94 -15.72 43.45 Favored 'General case' 0 CA--C 1.543 0.707 1 C-N-CA 133.229 4.612 . . . . 0.0 111.204 -179.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -160.54 166.32 29.28 Favored 'General case' 0 C--O 1.24 0.602 1 C-N-CA 134.563 5.145 . . . . 0.0 100.323 178.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.0 tp -77.7 139.96 39.48 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 118.714 2.857 . . . . 0.0 118.714 -178.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -126.86 -8.46 6.08 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 120.485 -1.384 . . . . 0.0 113.831 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -136.15 164.24 28.51 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-O 123.652 1.691 . . . . 0.0 114.943 -177.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.08 38.15 0.17 Allowed 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 130.354 3.462 . . . . 0.0 115.909 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.339 0.2 OUTLIER -59.58 -64.39 0.96 Allowed 'General case' 0 CA--C 1.561 1.387 0 N-CA-C 121.396 3.851 . . . . 0.0 121.396 -177.83 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.587 37.1 mt-10 41.41 71.84 0.19 Allowed 'General case' 0 C--N 1.35 0.59 1 C-N-CA 134.095 4.958 . . . . 0.0 119.489 -177.2 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.483 68.3 m-20 61.63 45.26 8.21 Favored 'General case' 0 C--N 1.355 0.848 1 C-N-CA 132.275 4.23 . . . . 0.0 116.893 179.817 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 59.9 ttp -146.84 104.21 3.7 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 128.649 2.78 . . . . 0.0 106.674 179.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.8 mmt -129.58 -66.04 0.82 Allowed 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 129.046 2.939 . . . . 0.0 111.462 -178.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -133.29 -4.9 3.01 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 120.306 -1.496 . . . . 0.0 114.627 -179.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.7 mp0 -59.8 47.48 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.883 1 C-N-CA 131.958 4.103 . . . . 0.0 120.175 -179.208 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -74.87 69.78 1.89 Allowed 'General case' 0 CA--C 1.57 1.722 0 O-C-N 119.605 -1.935 . . . . 0.0 114.812 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.678 0 O-C-N 120.275 -1.516 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.8 mtm . . . . . 0 N--CA 1.505 2.301 0 CA-C-O 122.248 1.023 . . . . 0.0 113.471 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -99.02 -13.84 19.71 Favored 'General case' 0 N--CA 1.442 -0.85 1 C-N-CA 132.061 4.145 . . . . 0.0 112.398 -177.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.4 pm0 -69.72 135.91 50.35 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 130.468 3.507 . . . . 0.0 117.122 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.6 tp -93.14 141.98 27.81 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 126.572 1.949 . . . . 0.0 113.549 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -124.13 -21.2 5.09 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 123.935 1.826 . . . . 0.0 109.38 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.82 117.36 10.41 Favored 'General case' 0 N--CA 1.44 -0.968 1 C-N-CA 135.754 5.622 . . . . 0.0 116.263 -178.292 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -71.73 85.13 0.91 Allowed 'General case' 0 CA--C 1.559 1.291 0 C-N-CA 126.679 1.992 . . . . 0.0 112.857 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.282 0.3 OUTLIER -137.85 -63.11 0.58 Allowed 'General case' 0 C--N 1.355 0.821 0 N-CA-C 115.286 1.587 . . . . 0.0 115.286 -177.761 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.624 35.7 mt-10 36.79 72.49 0.11 Allowed 'General case' 0 C--N 1.35 0.619 1 C-N-CA 133.387 4.675 . . . . 0.0 119.715 -176.512 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.465 71.8 m-20 64.24 13.53 7.99 Favored 'General case' 0 C--N 1.353 0.744 1 C-N-CA 132.696 4.398 . . . . 0.0 117.92 -179.781 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 24.2 mmt -85.53 55.58 3.57 Favored 'General case' 0 C--N 1.357 0.899 0 O-C-N 119.781 -1.824 . . . . 0.0 112.988 178.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 16.9 mmt -111.95 -34.16 6.07 Favored 'General case' 0 C--N 1.35 0.608 0 C-N-CA 128.945 2.898 . . . . 0.0 112.432 -179.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -137.33 138.48 40.01 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 120.499 -1.376 . . . . 0.0 108.575 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 -82.31 78.4 8.98 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 116.929 2.196 . . . . 0.0 116.929 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -86.12 70.76 10.6 Favored 'General case' 0 CA--C 1.57 1.73 0 O-C-N 119.145 -2.222 . . . . 0.0 111.761 179.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.76 0 O-C-N 120.297 -1.502 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.0 ttt . . . . . 0 N--CA 1.505 2.28 0 CA-C-O 123.609 1.671 . . . . 0.0 114.231 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.3 mp0 -91.61 -18.32 24.21 Favored 'General case' 0 C--N 1.35 0.61 0 C-N-CA 130.786 3.634 . . . . 0.0 112.474 -177.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.44 -42.21 2.78 Favored 'General case' 0 C--N 1.343 0.283 1 C-N-CA 131.772 4.029 . . . . 0.0 111.389 -179.742 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 27.9 mt -99.37 178.32 4.92 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 128.922 2.889 . . . . 0.0 113.586 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -108.11 -50.69 3.0 Favored 'General case' 0 C--N 1.35 0.618 0 C-N-CA 125.77 1.628 . . . . 0.0 108.305 178.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -116.81 117.33 29.44 Favored 'General case' 0 N--CA 1.437 -1.075 0 C-N-CA 130.626 3.57 . . . . 0.0 104.338 178.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -79.3 66.1 4.66 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-O 124.835 2.255 . . . . 0.0 111.655 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -56.21 -51.04 69.5 Favored 'General case' 0 CA--C 1.554 1.131 1 C-N-CA 133.722 4.809 . . . . 0.0 120.166 -177.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.631 21.0 mt-10 39.46 63.92 0.91 Allowed 'General case' 0 C--N 1.349 0.545 1 C-N-CA 133.302 4.641 . . . . 0.0 118.861 -177.042 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.702 56.0 m-20 79.85 6.72 1.79 Allowed 'General case' 0 C--N 1.35 0.617 1 C-N-CA 133.363 4.665 . . . . 0.0 116.591 -179.656 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.8 mmt -118.51 87.72 2.78 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 128.32 2.648 . . . . 0.0 105.221 176.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 33.2 mtt -68.57 127.17 32.03 Favored 'General case' 0 C--N 1.353 0.748 0 N-CA-C 120.544 3.535 . . . . 0.0 120.544 -177.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -136.25 162.6 32.53 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 130.423 3.489 . . . . 0.0 105.232 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.48 102.21 3.43 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 116.186 1.921 . . . . 0.0 116.186 -178.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -114.2 32.25 6.04 Favored 'General case' 0 CA--C 1.565 1.557 0 O-C-N 120.044 -1.66 . . . . 0.0 112.622 178.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.499 0 O-C-N 119.391 -2.068 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.4 ttt . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -149.09 54.74 0.98 Allowed 'General case' 0 C--N 1.354 0.766 0 CA-C-O 123.244 1.497 . . . . 0.0 109.729 -179.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -83.9 116.54 22.82 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.792 2.037 . . . . 0.0 114.094 -178.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -172.63 -65.95 0.02 OUTLIER 'General case' 0 N--CA 1.433 -1.31 0 C-N-CA 129.233 3.013 . . . . 0.0 104.907 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.6 pm0 -55.56 5.22 0.01 OUTLIER 'General case' 0 C--N 1.362 1.126 0 C-N-CA 130.94 3.696 . . . . 0.0 120.624 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -81.23 -157.84 0.19 Allowed 'General case' 0 CA--C 1.552 1.021 1 C-N-CA 132.111 4.164 . . . . 0.0 110.21 178.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -62.6 48.69 0.01 OUTLIER 'General case' 0 CA--C 1.566 1.575 0 O-C-N 118.237 -2.79 . . . . 0.0 118.355 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.254 0.7 OUTLIER -101.15 -59.58 1.67 Allowed 'General case' 0 C--N 1.354 0.788 0 C-N-CA 127.177 2.191 . . . . 0.0 115.571 -179.091 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.558 50.9 mt-10 37.55 72.45 0.12 Allowed 'General case' 0 C--N 1.347 0.467 1 C-N-CA 133.899 4.88 . . . . 0.0 120.686 -177.546 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.551 67.0 m-20 60.9 28.95 18.69 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 131.671 3.988 . . . . 0.0 119.221 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 33.3 mtt -113.32 105.17 13.09 Favored 'General case' 0 C--N 1.354 0.769 0 C-N-CA 128.643 2.777 . . . . 0.0 103.872 177.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 13.0 mmt -150.62 39.35 0.72 Allowed 'General case' 0 C--N 1.35 0.626 0 C-N-CA 126.655 1.982 . . . . 0.0 110.981 -177.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -64.38 64.69 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 130.255 3.422 . . . . 0.0 118.218 -178.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.29 0.0 OUTLIER -77.42 141.35 39.8 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 126.627 1.971 . . . . 0.0 116.252 179.706 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -112.39 -34.83 5.76 Favored 'General case' 0 CA--C 1.563 1.466 0 C-N-CA 129.113 2.965 . . . . 0.0 109.092 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.708 0 O-C-N 121.217 -0.927 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 mpt? . . . . . 0 N--CA 1.496 1.872 0 CA-C-O 122.131 0.967 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -107.44 155.08 20.43 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 128.676 2.79 . . . . 0.0 108.639 -177.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -24.11 -50.81 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 121.485 3.883 . . . . 0.0 121.485 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -98.98 75.02 2.03 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 127.195 2.198 . . . . 0.0 116.157 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . 0.302 2.0 pt20 -174.1 -59.71 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.725 2.01 . . . . 0.0 110.814 177.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -76.38 -179.04 4.9 Favored 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 128.327 2.651 . . . . 0.0 112.938 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.52 57.94 0.0 OUTLIER 'General case' 0 CA--C 1.564 1.501 0 C-N-CA 129.532 3.133 . . . . 0.0 118.902 -179.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -76.98 -55.42 5.48 Favored 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 118.652 2.834 . . . . 0.0 118.652 -178.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.597 57.6 mt-10 39.36 69.96 0.25 Allowed 'General case' 0 C--N 1.351 0.667 1 C-N-CA 133.909 4.884 . . . . 0.0 119.987 -177.238 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.55 38.3 m-20 61.07 26.24 16.19 Favored 'General case' 0 C--N 1.355 0.831 1 C-N-CA 132.882 4.473 . . . . 0.0 118.024 179.814 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 60.2 ttp -134.37 95.26 3.35 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 126.939 2.096 . . . . 0.0 108.426 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.89 179.24 5.99 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 120.179 -1.576 . . . . 0.0 111.093 -178.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -109.02 -175.37 2.75 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 128.147 2.579 . . . . 0.0 111.458 179.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.262 0.1 OUTLIER -78.77 144.29 35.31 Favored 'General case' 0 C--N 1.349 0.556 0 N-CA-C 117.919 2.563 . . . . 0.0 117.919 -179.654 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -127.97 -26.03 2.96 Favored 'General case' 0 CA--C 1.563 1.477 0 C-N-CA 128.092 2.557 . . . . 0.0 109.887 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.649 0 O-C-N 121.373 -0.83 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.424 ' H2 ' ' CD ' ' A' ' 3' ' ' GLU . 25.1 ttt . . . . . 0 N--CA 1.498 1.965 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -91.76 1.52 57.1 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 129.987 3.315 . . . . 0.0 114.143 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.424 ' CD ' ' H2 ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -98.37 -10.7 23.39 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 128.146 2.578 . . . . 0.0 117.373 -177.724 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.441 HD21 ' HE2' ' A' ' 12' ' ' MET . 3.7 mm? -73.33 65.59 0.88 Allowed 'General case' 0 C--N 1.352 0.701 0 N-CA-C 117.351 2.352 . . . . 0.0 117.351 -179.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -155.13 -65.94 0.13 Allowed 'General case' 0 C--N 1.341 0.239 0 C-N-CA 126.858 2.063 . . . . 0.0 109.595 179.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -82.74 -165.09 0.96 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 127.501 2.32 . . . . 0.0 114.394 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.79 52.56 0.02 OUTLIER 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 130.296 3.438 . . . . 0.0 117.697 -179.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -68.21 -43.39 78.13 Favored 'General case' 0 CA--C 1.559 1.295 0 C-N-CA 128.399 2.68 . . . . 0.0 117.209 -178.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.595 32.9 mt-10 27.59 70.77 0.05 Allowed 'General case' 0 C--N 1.351 0.667 1 C-N-CA 134.71 5.204 . . . . 0.0 120.746 -176.881 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.6 61.0 m-20 67.45 16.63 10.02 Favored 'General case' 0 C--N 1.351 0.659 1 C-N-CA 133.051 4.541 . . . . 0.0 117.551 -179.821 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 44.3 mtt -107.67 78.37 1.2 Allowed 'General case' 0 C--N 1.353 0.723 0 C-N-CA 126.72 2.008 . . . . 0.0 108.693 177.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.441 ' HE2' HD21 ' A' ' 4' ' ' LEU . 59.1 mtt -98.67 141.09 31.93 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 126.909 2.084 . . . . 0.0 114.514 -178.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -131.61 -157.5 0.83 Allowed 'General case' 0 C--N 1.349 0.587 0 O-C-N 120.722 -1.236 . . . . 0.0 111.694 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -163.39 122.46 2.07 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 120.221 -1.55 . . . . 0.0 111.551 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 64.7 m-80 -122.26 -5.99 8.84 Favored 'General case' 0 CA--C 1.567 1.6 0 C-N-CA 126.085 1.754 . . . . 0.0 111.345 178.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.648 0 O-C-N 120.459 -1.401 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.286 12.8 ptt? . . . . . 0 N--CA 1.486 1.353 0 N-CA-C 111.305 0.113 . . . . 0.0 111.305 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -86.33 -30.75 21.98 Favored 'General case' 0 C--N 1.359 1.01 0 O-C-N 119.813 -1.804 . . . . 0.0 107.681 177.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -107.93 169.6 8.51 Favored 'General case' 0 CA--C 1.543 0.695 1 C-N-CA 133.944 4.898 . . . . 0.0 107.517 176.414 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.418 HD11 ' CE1' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -93.24 109.81 21.33 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 118.839 -2.413 . . . . 0.0 115.795 -179.645 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -140.65 -30.14 0.66 Allowed 'General case' 0 C--N 1.349 0.562 0 O-C-N 120.232 -1.543 . . . . 0.0 110.635 176.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.54 145.31 55.77 Favored 'General case' 0 CA--C 1.551 1.004 1 C-N-CA 135.864 5.666 . . . . 0.0 119.51 -178.019 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.03 56.46 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.383 1 C-N-CA 132.769 4.427 . . . . 0.0 117.297 179.651 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.418 ' CE1' HD11 ' A' ' 4' ' ' LEU 0.259 1.0 OUTLIER -88.35 -61.09 1.79 Allowed 'General case' 0 CA--C 1.554 1.109 0 N-CA-C 120.541 3.534 . . . . 0.0 120.541 -177.366 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.403 ' N ' ' CG ' ' A' ' 8' ' ' TYR 0.64 48.6 mt-10 50.75 87.18 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.465 1 C-N-CA 133.895 4.878 . . . . 0.0 119.737 -177.027 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.488 45.3 m-20 47.7 35.69 4.83 Favored 'General case' 0 C--N 1.351 0.656 1 C-N-CA 134.744 5.218 . . . . 0.0 121.2 179.454 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 38.8 mtt -104.82 15.42 27.86 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 126.167 1.787 . . . . 0.0 111.618 178.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.4 ptt? -172.01 -151.18 0.06 Allowed 'General case' 0 C--N 1.353 0.759 0 C-N-CA 126.112 1.765 . . . . 0.0 109.549 -179.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -144.28 164.76 29.83 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 131.017 3.727 . . . . 0.0 102.893 178.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -55.55 78.64 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.15 0 N-CA-C 119.192 3.034 . . . . 0.0 119.192 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -126.44 75.67 1.56 Allowed 'General case' 0 CA--C 1.563 1.443 0 C-N-CA 126.639 1.976 . . . . 0.0 109.626 -179.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.559 0 O-C-N 120.759 -1.213 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.426 ' HG2' ' H ' ' A' ' 2' ' ' GLU . 32.1 ttp . . . . . 0 N--CA 1.504 2.242 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.426 ' H ' ' HG2' ' A' ' 1' ' ' MET . 3.1 tm-20 -151.96 -152.83 0.45 Allowed 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 100.998 -3.704 . . . . 0.0 100.998 178.207 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.426 ' H ' ' CD ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -77.61 163.37 26.3 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 122.137 2.244 . . . . 0.0 116.764 179.482 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.8 tp -103.45 179.0 4.4 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 127.689 2.396 . . . . 0.0 115.983 -178.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -160.37 173.21 15.98 Favored 'General case' 0 C--N 1.347 0.473 0 C-N-CA 127.455 2.302 . . . . 0.0 105.095 178.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -45.18 -60.84 1.9 Allowed 'General case' 0 CA--C 1.539 0.547 1 C-N-CA 132.244 4.218 . . . . 0.0 118.342 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -49.18 41.26 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.107 1 C-N-CA 134.693 5.197 . . . . 0.0 120.184 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . 0.323 1.4 p90 -134.18 -69.14 0.54 Allowed 'General case' 0 CA--C 1.544 0.747 0 O-C-N 120.081 -1.637 . . . . 0.0 112.313 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.543 19.9 mt-10 45.93 93.53 0.01 OUTLIER 'General case' 0 C--N 1.35 0.601 1 C-N-CA 133.706 4.802 . . . . 0.0 119.673 -178.923 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.35 58.5 m-20 70.03 5.38 5.25 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 130.431 3.492 . . . . 0.0 116.875 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 14.1 ptm -151.32 140.27 21.01 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 126.716 2.006 . . . . 0.0 108.182 178.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 60.0 mtt -111.08 -74.02 0.66 Allowed 'General case' 0 C--N 1.347 0.49 0 C-N-CA 126.799 2.04 . . . . 0.0 113.014 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -94.45 -35.82 12.15 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 126.543 1.937 . . . . 0.0 111.07 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.513 ' H ' ' CD ' ' A' ' 14' ' ' GLU . 3.5 mp0 -33.07 87.31 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.724 1 C-N-CA 134.589 5.155 . . . . 0.0 120.199 -179.452 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -65.44 62.78 0.03 OUTLIER 'General case' 0 CA--C 1.572 1.793 0 N-CA-C 118.226 2.676 . . . . 0.0 118.226 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.623 0 O-C-N 120.163 -1.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.29 3.9 ppp? . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 125.302 2.477 . . . . 0.0 112.558 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.479 ' H ' ' CD ' ' A' ' 2' ' ' GLU . 11.6 mp0 -80.97 -34.29 33.19 Favored 'General case' 0 N--CA 1.444 -0.728 1 C-N-CA 133.453 4.701 . . . . 0.0 114.718 -176.219 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -102.36 98.05 8.22 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 127.146 2.178 . . . . 0.0 112.36 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.7 tp -91.22 143.38 26.73 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 125.914 1.686 . . . . 0.0 112.299 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.79 158.54 33.09 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 128.718 2.807 . . . . 0.0 107.726 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -53.8 -43.55 69.42 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 129.065 2.946 . . . . 0.0 118.206 -179.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -65.94 8.5 0.19 Allowed 'General case' 0 CA--C 1.555 1.162 1 C-N-CA 132.68 4.392 . . . . 0.0 117.289 178.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -74.55 -53.54 9.23 Favored 'General case' 0 CA--C 1.555 1.159 0 N-CA-C 117.623 2.453 . . . . 0.0 117.623 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.601 43.3 mt-10 37.13 74.09 0.08 Allowed 'General case' 0 C--N 1.349 0.577 1 C-N-CA 133.924 4.89 . . . . 0.0 120.768 -177.422 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . 0.526 68.6 m-20 59.7 31.77 21.05 Favored 'General case' 0 C--N 1.353 0.744 1 C-N-CA 132.606 4.362 . . . . 0.0 118.631 179.529 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 75.2 mtm -135.59 113.7 11.32 Favored 'General case' 0 C--N 1.349 0.565 0 C-N-CA 130.297 3.439 . . . . 0.0 102.571 177.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 55.7 mtt -116.08 -81.89 0.62 Allowed 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 119.671 -1.893 . . . . 0.0 115.442 -177.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -89.78 -32.26 17.03 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 126.924 2.09 . . . . 0.0 113.24 -178.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.549 ' H ' ' CD ' ' A' ' 14' ' ' GLU . 4.1 mp0 -43.42 26.23 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.175 2 C-N-CA 135.461 5.504 . . . . 0.0 121.93 -179.807 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -75.56 66.7 1.96 Allowed 'General case' 0 CA--C 1.568 1.643 0 C-N-CA 127.553 2.341 . . . . 0.0 115.108 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.694 0 O-C-N 120.236 -1.54 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_