data_1psm_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 1psm _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.9 m . . . . . 0 CA--C 1.492 -1.282 1 N-CA-C 99.058 -4.423 . . . . 0.0 99.058 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.18 -0.5 9.9 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 127.19 2.196 . . . . 0.0 114.653 -176.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -83.05 -22.33 33.55 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 128.61 2.764 . . . . 0.0 111.087 171.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.65 -21.99 16.15 Favored 'General case' 0 C--N 1.367 1.351 0 O-C-N 121.339 -0.851 . . . . 0.0 109.989 170.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -80.56 -37.87 30.6 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 126.478 1.911 . . . . 0.0 111.932 -175.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.32 -34.39 25.69 Favored 'General case' 0 C--N 1.369 1.455 0 C-N-CA 123.552 0.741 . . . . 0.0 111.898 -177.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.12 -11.61 59.98 Favored 'General case' 0 C--N 1.361 1.076 0 C-N-CA 127.023 2.129 . . . . 0.0 112.011 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.63 -18.17 25.6 Favored 'General case' 0 C--N 1.357 0.922 0 C-N-CA 127.021 2.128 . . . . 0.0 112.544 168.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -90.29 -43.94 10.03 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 124.054 0.942 . . . . 0.0 109.165 -175.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -89.94 16.5 8.13 Favored 'General case' 0 C--N 1.361 1.087 0 O-C-N 120.645 -1.285 . . . . 0.0 111.047 176.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.82 -36.45 14.23 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 128.497 2.719 . . . . 0.0 113.171 163.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -82.34 -30.09 30.62 Favored 'General case' 0 C--N 1.385 2.121 0 C-N-CA 125.641 1.576 . . . . 0.0 110.32 -177.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -67.93 -23.04 65.03 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 128.274 2.63 . . . . 0.0 112.458 -161.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.35 -30.96 38.02 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 125.003 1.321 . . . . 0.0 112.336 175.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.3 m -90.3 -13.13 35.86 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 126.059 1.744 . . . . 0.0 112.162 177.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.3 mmtm -72.31 -42.37 65.52 Favored 'General case' 0 C--N 1.367 1.35 0 C-N-CA 125.729 1.611 . . . . 0.0 112.004 165.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 . . . . . 0 C--N 1.367 1.356 0 C-N-CA 125.05 1.34 . . . . 0.0 112.547 168.582 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.316 4.7 m . . . . . 0 N--CA 1.473 0.68 0 N-CA-C 116.143 1.905 . . . . 0.0 116.143 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -100.9 -24.56 14.33 Favored 'General case' 0 CA--C 1.505 -0.773 0 C-N-CA 127.936 2.494 . . . . 0.0 109.827 171.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -101.29 -47.05 4.84 Favored 'General case' 0 CA--C 1.495 -1.167 0 C-N-CA 128.11 2.564 . . . . 0.0 109.076 -175.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.67 -17.26 27.13 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 127.397 2.279 . . . . 0.0 111.391 -160.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.406 ' CD ' ' HZ2' ' A' ' 18' ' ' LYS . 8.5 tm-20 -90.88 -31.27 16.49 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 129.294 3.037 . . . . 0.0 108.434 173.184 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -87.35 -30.2 20.97 Favored 'General case' 0 C--N 1.366 1.301 0 C-N-CA 127.367 2.267 . . . . 0.0 110.586 -174.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.43 -15.16 63.52 Favored 'General case' 0 C--N 1.362 1.112 0 C-N-CA 126.36 1.864 . . . . 0.0 113.845 175.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.68 -15.66 29.95 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 128.234 2.614 . . . . 0.0 114.003 171.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.406 ' HZ2' ' CD ' ' A' ' 14' ' ' GLU . 13.5 mmtm -90.5 -15.06 31.48 Favored 'General case' 0 C--N 1.369 1.416 0 C-N-CA 125.508 1.523 . . . . 0.0 111.758 -177.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.406 ' HA ' ' HB2' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -63.63 0.43 0.78 Allowed 'General case' 0 C--N 1.352 0.704 0 C-N-CA 129.72 3.208 . . . . 0.0 118.231 -163.645 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.4 -39.26 12.09 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 127.87 2.468 . . . . 0.0 112.261 167.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -84.82 -17.96 36.44 Favored 'General case' 0 C--N 1.379 1.863 0 C-N-CA 129.593 3.157 . . . . 0.0 108.535 -176.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.406 ' HB2' ' HA ' ' A' ' 19' ' ' ASP . 0.6 OUTLIER -74.65 -16.31 60.78 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 129.126 2.97 . . . . 0.0 115.078 -171.093 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.06 -50.98 51.8 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 170.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.7 t -91.79 8.44 37.11 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 124.9 1.28 . . . . 0.0 113.216 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -82.11 -23.87 35.46 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 127.293 2.237 . . . . 0.0 110.779 -177.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.1 tp10 . . . . . 0 C--N 1.355 0.826 0 CA-C-O 122.664 1.221 . . . . 0.0 112.161 -178.443 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.2 m . . . . . 0 CA--C 1.5 -0.975 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -92.39 -18.2 23.61 Favored 'General case' 0 C--N 1.361 1.087 0 C-N-CA 127.19 2.196 . . . . 0.0 109.739 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -100.42 -7.72 24.02 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 129.549 3.14 . . . . 0.0 107.981 -169.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -99.39 -14.11 19.29 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 127.106 2.163 . . . . 0.0 110.198 -176.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -84.33 -35.02 23.55 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 126.192 1.797 . . . . 0.0 109.779 178.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.68 -26.57 25.88 Favored 'General case' 0 C--N 1.356 0.871 0 O-C-N 120.359 -1.463 . . . . 0.0 109.679 -175.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.11 -6.69 52.35 Favored 'General case' 0 C--N 1.362 1.113 0 C-N-CA 126.707 2.003 . . . . 0.0 113.494 169.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.49 -27.65 19.08 Favored 'General case' 0 C--N 1.366 1.29 0 C-N-CA 124.401 1.08 . . . . 0.0 109.971 167.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -81.67 -35.99 29.27 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 126.021 1.728 . . . . 0.0 112.291 -172.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -90.07 2.97 54.63 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 124.928 1.291 . . . . 0.0 111.251 176.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.75 -53.51 4.38 Favored 'General case' 0 C--N 1.361 1.108 0 C-N-CA 126.482 1.913 . . . . 0.0 109.659 161.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -61.09 -39.35 89.59 Favored 'General case' 0 C--N 1.386 2.161 0 C-N-CA 128.159 2.584 . . . . 0.0 113.548 -179.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -62.89 -13.02 29.14 Favored 'General case' 0 C--N 1.37 1.493 0 C-N-CA 127.046 2.138 . . . . 0.0 116.018 -178.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.15 -28.89 57.57 Favored 'General case' 0 C--N 1.356 0.891 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 173.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.1 m -90.83 -30.98 16.65 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 125.83 1.652 . . . . 0.0 113.494 176.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -60.76 -8.53 3.07 Favored 'General case' 0 C--N 1.362 1.128 0 C-N-CA 129.993 3.317 . . . . 0.0 116.527 -173.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 . . . . . 0 CA--C 1.54 0.578 0 C-N-CA 127.305 2.242 . . . . 0.0 112.208 171.634 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.5 m . . . . . 0 CA--C 1.498 -1.025 0 N-CA-C 102.117 -3.29 . . . . 0.0 102.117 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.7 -16.35 28.67 Favored 'General case' 0 C--N 1.363 1.178 0 C-N-CA 125.658 1.583 . . . . 0.0 109.553 173.198 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -71.75 -42.48 67.18 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 127.793 2.437 . . . . 0.0 111.547 -171.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.42 -6.15 59.37 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 126.109 1.763 . . . . 0.0 111.984 -178.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -90.46 -42.22 10.99 Favored 'General case' 0 C--N 1.359 1.006 0 C-N-CA 128.318 2.647 . . . . 0.0 109.427 172.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.6 -43.53 18.52 Favored 'General case' 0 C--N 1.362 1.114 0 C-N-CA 126.835 2.054 . . . . 0.0 111.76 -176.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.85 -15.61 61.61 Favored 'General case' 0 C--N 1.37 1.471 0 C-N-CA 126.507 1.923 . . . . 0.0 112.866 -177.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.09 -24.49 30.32 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 128.078 2.551 . . . . 0.0 112.223 173.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -91.19 -24.8 19.81 Favored 'General case' 0 C--N 1.373 1.623 0 C-N-CA 124.937 1.295 . . . . 0.0 112.601 -178.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -88.13 16.7 5.8 Favored 'General case' 0 C--N 1.363 1.175 0 O-C-N 120.769 -1.207 . . . . 0.0 111.205 176.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.71 -36.63 14.21 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 126.196 1.798 . . . . 0.0 110.658 169.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -90.97 -47.0 7.83 Favored 'General case' 0 C--N 1.37 1.465 0 C-N-CA 127.713 2.405 . . . . 0.0 107.808 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -68.13 -10.01 50.84 Favored 'General case' 0 C--N 1.373 1.603 0 C-N-CA 128.335 2.654 . . . . 0.0 114.418 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.7 -41.9 64.78 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 124.818 1.247 . . . . 0.0 112.537 174.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.5 m -91.26 -16.63 27.28 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 124.345 1.058 . . . . 0.0 113.424 -177.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm -64.09 -24.28 67.64 Favored 'General case' 0 C--N 1.365 1.26 0 C-N-CA 126.276 1.83 . . . . 0.0 115.728 -178.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 . . . . . 0 C--N 1.372 1.562 0 C-N-CA 128.474 2.71 . . . . 0.0 113.44 166.278 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.9 m . . . . . 0 N--CA 1.435 -1.207 1 N-CA-C 97.64 -4.948 . . . . 0.0 97.64 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -71.45 -26.39 62.7 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 127.036 2.134 . . . . 0.0 114.072 -167.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -76.08 -17.94 59.42 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 127.422 2.289 . . . . 0.0 113.38 173.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -95.19 -29.85 14.32 Favored 'General case' 0 C--N 1.362 1.123 0 O-C-N 120.727 -1.233 . . . . 0.0 109.067 170.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.5 -40.92 22.49 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 126.002 1.721 . . . . 0.0 111.463 -171.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.76 -28.45 36.44 Favored 'General case' 0 C--N 1.367 1.37 0 C-N-CA 125.339 1.456 . . . . 0.0 111.955 -179.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.27 -2.95 40.44 Favored 'General case' 0 C--N 1.367 1.341 0 C-N-CA 124.908 1.283 . . . . 0.0 113.861 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.36 -28.68 18.54 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 125.895 1.678 . . . . 0.0 111.819 167.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -90.36 -36.15 14.8 Favored 'General case' 0 C--N 1.362 1.139 0 C-N-CA 126.973 2.109 . . . . 0.0 111.164 -174.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.96 -8.83 59.55 Favored 'General case' 0 C--N 1.368 1.407 0 C-N-CA 125.604 1.562 . . . . 0.0 111.808 178.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.94 -31.87 25.37 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 127.777 2.431 . . . . 0.0 111.593 174.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.56 -25.66 20.1 Favored 'General case' 0 C--N 1.374 1.662 0 C-N-CA 124.402 1.081 . . . . 0.0 111.623 176.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -77.89 1.02 21.84 Favored 'General case' 0 C--N 1.368 1.398 0 C-N-CA 126.485 1.914 . . . . 0.0 113.169 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.27 -33.45 24.02 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 126.389 1.876 . . . . 0.0 112.172 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.2 t -90.98 -35.55 14.61 Favored 'General case' 0 C--N 1.368 1.394 0 C-N-CA 124.37 1.068 . . . . 0.0 110.313 173.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -52.18 -29.39 22.13 Favored 'General case' 0 C--N 1.365 1.274 0 N-CA-C 116.467 2.025 . . . . 0.0 116.467 -177.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--N 1.353 0.734 0 C-N-CA 129.984 3.313 . . . . 0.0 114.419 174.437 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.1 m . . . . . 0 CA--C 1.504 -0.799 0 CA-C-O 121.072 0.463 . . . . 0.0 109.799 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -100.42 -38.64 8.33 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 124.841 1.256 . . . . 0.0 110.332 -168.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.7 -25.39 60.2 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 131.112 3.765 . . . . 0.0 110.69 -173.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.52 -16.84 31.62 Favored 'General case' 0 C--N 1.364 1.229 0 C-N-CA 128.135 2.574 . . . . 0.0 111.673 176.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -90.9 -49.87 6.19 Favored 'General case' 0 C--N 1.373 1.612 0 C-N-CA 125.044 1.338 . . . . 0.0 108.916 172.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -64.95 -33.2 75.47 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 125.356 1.462 . . . . 0.0 112.799 -169.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.64 -13.97 26.92 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 126.842 2.057 . . . . 0.0 115.837 169.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.92 -27.04 19.0 Favored 'General case' 0 C--N 1.365 1.274 0 C-N-CA 125.548 1.539 . . . . 0.0 113.117 171.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -90.07 -24.02 21.26 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 126.915 2.086 . . . . 0.0 111.004 178.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -79.24 5.9 11.14 Favored 'General case' 0 C--N 1.36 1.052 0 C-N-CA 127.262 2.225 . . . . 0.0 112.479 177.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.14 -34.02 16.02 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 127.308 2.243 . . . . 0.0 110.592 163.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -90.09 -32.14 16.83 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 125.333 1.453 . . . . 0.0 109.033 -174.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -77.23 -0.44 25.24 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 129.066 2.946 . . . . 0.0 113.487 167.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -90.44 -51.1 5.58 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 124.659 1.183 . . . . 0.0 109.992 169.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.4 p -90.71 12.64 18.48 Favored 'General case' 0 C--N 1.356 0.891 0 N-CA-C 115.649 1.722 . . . . 0.0 115.649 -178.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.54 -25.96 28.37 Favored 'General case' 0 C--N 1.363 1.162 0 O-C-N 120.373 -1.454 . . . . 0.0 110.512 178.097 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 . . . . . 0 C--N 1.359 1.015 0 C-N-CA 127.204 2.202 . . . . 0.0 111.909 169.325 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.1 m . . . . . 0 CA--C 1.491 -1.3 1 N-CA-C 100.031 -4.062 . . . . 0.0 100.031 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -51.03 -31.56 18.82 Favored 'General case' 0 C--N 1.368 1.383 0 C-N-CA 130.006 3.322 . . . . 0.0 114.857 175.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.23 -43.04 92.37 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 130.085 3.354 . . . . 0.0 115.196 171.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.99 -26.13 16.95 Favored 'General case' 0 CA--C 1.491 -1.315 0 C-N-CA 124.95 1.3 . . . . 0.0 108.31 -173.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.74 -24.72 35.93 Favored 'General case' 0 C--N 1.365 1.254 0 C-N-CA 124.638 1.175 . . . . 0.0 111.219 179.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.07 -38.19 13.74 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 125.257 1.423 . . . . 0.0 112.104 175.378 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.92 -25.77 53.32 Favored 'General case' 0 C--N 1.365 1.253 0 CA-C-O 122.171 0.986 . . . . 0.0 112.533 -174.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.07 -8.41 51.5 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 123.994 0.918 . . . . 0.0 111.519 176.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.4 tttm -82.62 -42.05 18.72 Favored 'General case' 0 C--N 1.362 1.149 0 C-N-CA 125.898 1.679 . . . . 0.0 109.188 -176.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -75.06 -31.91 61.37 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 127.705 2.402 . . . . 0.0 110.856 175.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.27 -28.63 18.68 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 125.566 1.547 . . . . 0.0 113.901 -173.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -90.13 -18.57 25.58 Favored 'General case' 0 C--N 1.37 1.499 0 CA-C-N 120.31 1.414 . . . . 0.0 112.106 172.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -79.6 -28.72 41.01 Favored 'General case' 0 C--N 1.366 1.287 0 CA-C-N 120.422 1.464 . . . . 0.0 112.131 -176.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.66 -27.34 63.96 Favored 'General case' 0 C--N 1.36 1.028 0 C-N-CA 124.841 1.256 . . . . 0.0 113.254 -176.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -90.93 -7.8 51.1 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 126.09 1.756 . . . . 0.0 112.977 173.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -91.01 -29.08 17.58 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 127.763 2.425 . . . . 0.0 110.992 173.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 . . . . . 0 C--N 1.372 1.555 0 C-N-CA 126.842 2.057 . . . . 0.0 112.061 172.15 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.7 m . . . . . 0 CA--C 1.493 -1.215 0 N-CA-C 101.063 -3.68 . . . . 0.0 101.063 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -56.53 -33.15 65.8 Favored 'General case' 0 C--N 1.373 1.625 0 C-N-CA 127.789 2.436 . . . . 0.0 114.556 -175.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -72.37 -10.01 59.23 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 129.86 3.264 . . . . 0.0 114.613 175.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.12 -27.37 12.6 Favored 'General case' 0 CA--C 1.502 -0.894 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 176.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -87.65 -30.69 20.24 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 126.212 1.805 . . . . 0.0 109.684 -173.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -83.28 -27.67 29.68 Favored 'General case' 0 C--N 1.365 1.25 0 C-N-CA 130.223 3.409 . . . . 0.0 110.791 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.93 -1.52 57.82 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 125.084 1.354 . . . . 0.0 112.911 174.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.81 -22.71 20.87 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 126.121 1.768 . . . . 0.0 111.502 164.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.8 mttp -87.17 -21.13 26.11 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 126.642 1.977 . . . . 0.0 111.088 -155.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -91.4 -8.73 47.1 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 127.22 2.208 . . . . 0.0 113.774 171.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.71 -28.09 18.55 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 125.369 1.468 . . . . 0.0 111.448 177.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.02 -35.64 25.64 Favored 'General case' 0 C--N 1.368 1.398 0 C-N-CA 125.078 1.351 . . . . 0.0 109.376 172.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.44 ' HA ' ' HB2' ' A' ' 25' ' ' LYS . 44.6 m-20 -78.53 13.19 1.68 Allowed 'General case' 0 C--N 1.364 1.227 0 C-N-CA 125.054 1.341 . . . . 0.0 114.39 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.6 -27.61 21.23 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 125.709 1.604 . . . . 0.0 112.035 168.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.2 p -90.41 -31.79 16.69 Favored 'General case' 0 C--N 1.369 1.436 0 CA-C-O 123.263 1.506 . . . . 0.0 110.16 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.44 ' HB2' ' HA ' ' A' ' 22' ' ' ASN . 6.7 mtpm? -82.88 24.76 0.72 Allowed 'General case' 0 C--N 1.355 0.811 0 C-N-CA 129.224 3.01 . . . . 0.0 112.273 175.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 . . . . . 0 C--N 1.358 0.952 0 C-N-CA 129.31 3.044 . . . . 0.0 106.961 163.187 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.2 m . . . . . 0 CA--C 1.495 -1.15 1 N-CA-C 97.368 -5.049 . . . . 0.0 97.368 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -71.08 -28.74 64.56 Favored 'General case' 0 C--N 1.36 1.028 0 C-N-CA 127.699 2.4 . . . . 0.0 112.418 -176.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -83.87 5.75 24.09 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 126.904 2.082 . . . . 0.0 113.497 175.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.61 -25.72 13.07 Favored 'General case' 0 C--N 1.365 1.245 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 158.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.496 ' CD ' ' HZ2' ' A' ' 18' ' ' LYS . 18.3 tt0 -86.85 -44.79 11.43 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 126.144 1.777 . . . . 0.0 109.436 -162.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.5 tp60 -65.04 -24.29 67.43 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 130.485 3.514 . . . . 0.0 112.839 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.09 -19.35 32.01 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 126.54 1.936 . . . . 0.0 111.916 174.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.76 -24.32 20.4 Favored 'General case' 0 C--N 1.371 1.519 0 O-C-N 121.147 -0.971 . . . . 0.0 110.394 170.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.496 ' HZ2' ' CD ' ' A' ' 14' ' ' GLU . 29.7 mttp -77.87 -18.68 55.94 Favored 'General case' 0 C--N 1.368 1.401 0 C-N-CA 127.742 2.417 . . . . 0.0 111.699 -173.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -81.96 -26.62 33.8 Favored 'General case' 0 C--N 1.358 0.935 0 C-N-CA 126.287 1.835 . . . . 0.0 111.035 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.52 -29.76 23.96 Favored 'General case' 0 C--N 1.359 0.991 0 C-N-CA 125.574 1.55 . . . . 0.0 112.435 -177.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.97 -6.65 55.44 Favored 'General case' 0 C--N 1.36 1.054 0 C-N-CA 125.022 1.329 . . . . 0.0 112.352 171.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -85.14 -16.64 39.77 Favored 'General case' 0 C--N 1.37 1.48 0 C-N-CA 127.267 2.227 . . . . 0.0 111.63 176.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.0 -21.88 66.43 Favored 'General case' 0 C--N 1.361 1.077 0 N-CA-C 116.022 1.86 . . . . 0.0 116.022 177.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.9 m -91.06 -17.71 25.78 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 125.878 1.671 . . . . 0.0 113.7 172.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -90.78 -24.15 20.43 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 129.279 3.032 . . . . 0.0 111.556 -170.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 . . . . . 0 C--N 1.368 1.377 0 C-N-CA 127.141 2.176 . . . . 0.0 112.601 173.888 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.5 t . . . . . 0 N--CA 1.439 -0.99 1 N-CA-C 98.389 -4.671 . . . . 0.0 98.389 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.43 -31.36 63.79 Favored 'General case' 0 CA--C 1.487 -1.454 0 C-N-CA 129.673 3.189 . . . . 0.0 112.147 -163.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -86.11 -17.72 34.29 Favored 'General case' 0 CA--C 1.504 -0.817 0 C-N-CA 124.153 0.981 . . . . 0.0 110.497 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.63 -30.99 24.46 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 123.714 0.806 . . . . 0.0 110.734 168.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -89.88 -40.76 12.21 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 125.355 1.462 . . . . 0.0 111.851 -171.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -69.13 -22.86 63.93 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 126.407 1.883 . . . . 0.0 109.482 177.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.16 -0.24 35.16 Favored 'General case' 0 C--N 1.358 0.939 0 C-N-CA 125.678 1.591 . . . . 0.0 114.042 171.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.51 -43.96 9.37 Favored 'General case' 0 C--N 1.37 1.467 0 C-N-CA 124.529 1.132 . . . . 0.0 109.733 159.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -83.11 -21.11 33.75 Favored 'General case' 0 C--N 1.356 0.889 0 C-N-CA 126.499 1.92 . . . . 0.0 112.942 -168.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -82.07 -0.8 46.21 Favored 'General case' 0 C--N 1.362 1.126 0 O-C-N 120.037 -1.664 . . . . 0.0 111.829 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.55 -21.8 21.6 Favored 'General case' 0 C--N 1.363 1.154 0 C-N-CA 127.407 2.283 . . . . 0.0 112.18 161.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -90.7 -24.52 20.41 Favored 'General case' 0 C--N 1.375 1.712 0 C-N-CA 125.307 1.443 . . . . 0.0 110.088 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -69.4 -31.61 70.09 Favored 'General case' 0 C--N 1.366 1.319 0 C-N-CA 129.773 3.229 . . . . 0.0 112.667 175.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.65 -30.82 64.62 Favored 'General case' 0 C--N 1.36 1.057 0 CA-C-N 121.092 1.769 . . . . 0.0 114.529 -171.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.8 t -90.87 0.76 57.4 Favored 'General case' 0 C--N 1.358 0.958 0 C-N-CA 125.067 1.347 . . . . 0.0 111.61 170.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.81 -8.84 48.53 Favored 'General case' 0 C--N 1.369 1.448 0 C-N-CA 127.493 2.317 . . . . 0.0 109.153 172.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 . . . . . 0 C--N 1.36 1.064 0 C-N-CA 127.288 2.235 . . . . 0.0 111.865 171.232 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.7 m . . . . . 0 N--CA 1.442 -0.864 0 N-CA-C 101.524 -3.51 . . . . 0.0 101.524 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -63.16 -18.55 63.59 Favored 'General case' 0 C--N 1.366 1.312 0 C-N-CA 127.83 2.452 . . . . 0.0 114.733 -173.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -86.76 -2.92 58.94 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 119.948 -1.72 . . . . 0.0 112.679 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.98 -39.25 4.27 Favored 'General case' 0 CA--C 1.499 -0.998 0 N-CA-C 106.649 -1.611 . . . . 0.0 106.649 159.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -74.49 -27.03 60.38 Favored 'General case' 0 C--N 1.363 1.155 0 C-N-CA 126.684 1.994 . . . . 0.0 115.199 -169.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -74.97 -28.18 60.46 Favored 'General case' 0 C--N 1.372 1.584 0 O-C-N 119.4 -2.062 . . . . 0.0 111.045 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.58 -6.6 58.83 Favored 'General case' 0 C--N 1.363 1.171 0 C-N-CA 126.613 1.965 . . . . 0.0 113.821 178.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.12 -30.41 16.73 Favored 'General case' 0 C--N 1.364 1.234 0 CA-C-O 122.531 1.158 . . . . 0.0 110.902 164.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.1 tttp -79.27 -20.46 48.02 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 125.492 1.517 . . . . 0.0 111.058 -163.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -90.15 -3.72 57.71 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 124.224 1.01 . . . . 0.0 111.582 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.13 -37.25 13.5 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 126.768 2.027 . . . . 0.0 112.013 168.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -82.18 -26.97 32.93 Favored 'General case' 0 C--N 1.371 1.539 0 C-N-CA 126.959 2.104 . . . . 0.0 111.557 178.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -63.77 -17.63 63.25 Favored 'General case' 0 C--N 1.378 1.84 0 C-N-CA 127.312 2.245 . . . . 0.0 114.799 173.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.55 -31.95 63.92 Favored 'General case' 0 C--N 1.364 1.2 0 C-N-CA 125.453 1.501 . . . . 0.0 113.072 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.57 -6.42 54.71 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 126.353 1.861 . . . . 0.0 112.293 173.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.8 tmtm? -90.25 -28.1 19.05 Favored 'General case' 0 C--N 1.361 1.093 0 O-C-N 119.695 -1.878 . . . . 0.0 111.569 -172.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.373 1.61 0 C-N-CA 127.009 2.124 . . . . 0.0 112.439 -174.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.2 m . . . . . 0 CA--C 1.496 -1.096 0 N-CA-C 101.918 -3.364 . . . . 0.0 101.918 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -70.09 -15.34 62.97 Favored 'General case' 0 C--N 1.363 1.178 0 C-N-CA 125.19 1.396 . . . . 0.0 113.539 -172.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -69.75 -22.36 63.37 Favored 'General case' 0 C--N 1.359 1.019 0 C-N-CA 126.978 2.111 . . . . 0.0 114.472 164.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.23 -14.01 21.66 Favored 'General case' 0 C--N 1.365 1.272 0 O-C-N 119.307 -2.12 . . . . 0.0 109.415 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 -90.68 -35.31 15.01 Favored 'General case' 0 N--CA 1.433 -1.277 0 C-N-CA 127.782 2.433 . . . . 0.0 111.667 173.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -81.51 -43.46 18.76 Favored 'General case' 0 C--N 1.366 1.321 0 C-N-CA 126.657 1.983 . . . . 0.0 112.636 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.05 -5.56 49.31 Favored 'General case' 0 C--N 1.366 1.283 0 O-C-N 120.314 -1.492 . . . . 0.0 112.541 -177.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.58 -20.87 22.11 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 128.932 2.893 . . . . 0.0 111.161 166.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -90.89 -26.66 19.23 Favored 'General case' 0 C--N 1.361 1.108 0 C-N-CA 126.231 1.813 . . . . 0.0 111.076 -176.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -90.3 -2.35 58.0 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 120.571 -1.331 . . . . 0.0 110.193 -176.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.23 -31.2 17.1 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 126.56 1.944 . . . . 0.0 111.428 171.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -90.34 -13.58 34.85 Favored 'General case' 0 C--N 1.373 1.607 0 C-N-CA 125.712 1.605 . . . . 0.0 111.278 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.4 ' HA ' ' HB2' ' A' ' 25' ' ' LYS . 17.8 m-20 -82.31 -12.45 57.99 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 126.459 1.904 . . . . 0.0 111.604 -177.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.57 -35.81 63.04 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 124.595 1.158 . . . . 0.0 113.609 -177.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.5 p -89.99 -8.0 52.66 Favored 'General case' 0 C--N 1.359 0.993 0 C-N-CA 126.248 1.819 . . . . 0.0 110.791 175.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.4 ' HB2' ' HA ' ' A' ' 22' ' ' ASN . 1.5 mptm? -90.58 -11.64 39.39 Favored 'General case' 0 C--N 1.349 0.555 0 C-N-CA 127.065 2.146 . . . . 0.0 114.047 174.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 . . . . . 0 C--N 1.364 1.231 0 C-N-CA 124.115 0.966 . . . . 0.0 110.978 156.605 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.5 m . . . . . 0 CA--C 1.501 -0.923 0 N-CA-C 104.588 -2.375 . . . . 0.0 104.588 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -88.83 -13.33 39.57 Favored 'General case' 0 C--N 1.368 1.406 0 C-N-CA 123.78 0.832 . . . . 0.0 111.391 -172.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.7 -4.64 56.78 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 130.865 3.666 . . . . 0.0 110.745 172.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.33 -14.49 13.3 Favored 'General case' 0 N--CA 1.437 -1.12 0 C-N-CA 126.844 2.058 . . . . 0.0 107.766 176.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.61 -43.81 9.93 Favored 'General case' 0 C--N 1.365 1.254 0 C-N-CA 128.609 2.764 . . . . 0.0 107.649 177.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -62.34 -10.57 11.58 Favored 'General case' 0 C--N 1.367 1.361 0 C-N-CA 129.114 2.966 . . . . 0.0 116.23 -178.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.51 -19.3 31.39 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 119.979 -1.7 . . . . 0.0 114.569 165.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.9 -38.89 12.03 Favored 'General case' 0 C--N 1.363 1.182 0 C-N-CA 125.696 1.599 . . . . 0.0 111.88 165.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.1 tttp -87.35 -9.0 56.0 Favored 'General case' 0 C--N 1.374 1.658 0 C-N-CA 128.409 2.683 . . . . 0.0 112.236 -159.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.28 14.14 4.64 Favored 'General case' 0 C--N 1.365 1.244 0 O-C-N 120.29 -1.506 . . . . 0.0 111.737 175.554 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.56 -44.93 9.24 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 129.636 3.174 . . . . 0.0 111.671 167.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.85 -13.05 34.48 Favored 'General case' 0 C--N 1.381 1.964 0 C-N-CA 125.727 1.611 . . . . 0.0 111.616 -173.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.8 m-20 -62.37 -25.59 68.0 Favored 'General case' 0 C--N 1.372 1.561 0 C-N-CA 128.153 2.581 . . . . 0.0 112.257 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.21 -31.77 70.58 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 128.405 2.682 . . . . 0.0 114.489 174.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.88 -16.71 27.72 Favored 'General case' 0 C--N 1.354 0.8 0 C-N-CA 125.923 1.689 . . . . 0.0 113.062 171.055 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -90.28 -14.44 33.25 Favored 'General case' 0 C--N 1.351 0.647 0 C-N-CA 124.115 0.966 . . . . 0.0 113.126 177.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 . . . . . 0 C--N 1.369 1.424 0 C-N-CA 125.811 1.645 . . . . 0.0 109.959 167.439 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.285 20.2 m . . . . . 0 CA--C 1.511 -0.527 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -84.66 -33.77 23.16 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 125.903 1.681 . . . . 0.0 111.498 -175.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.7 -9.57 59.66 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 128.244 2.618 . . . . 0.0 111.346 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.35 -21.45 18.97 Favored 'General case' 0 C--N 1.356 0.877 0 C-N-CA 125.407 1.483 . . . . 0.0 110.039 179.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -91.81 -45.96 8.12 Favored 'General case' 0 C--N 1.364 1.217 0 C-N-CA 126.715 2.006 . . . . 0.0 109.859 176.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -73.67 -20.95 60.41 Favored 'General case' 0 C--N 1.364 1.204 0 C-N-CA 126.28 1.832 . . . . 0.0 112.209 -170.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.93 -24.13 66.05 Favored 'General case' 0 C--N 1.362 1.115 0 C-N-CA 125.426 1.49 . . . . 0.0 114.688 166.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.66 -19.56 26.04 Favored 'General case' 0 C--N 1.372 1.558 0 CA-C-N 120.274 1.397 . . . . 0.0 113.455 178.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -88.82 -24.35 22.6 Favored 'General case' 0 C--N 1.361 1.075 0 O-C-N 121.001 -1.062 . . . . 0.0 111.262 -173.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.27 12.4 2.94 Favored 'General case' 0 C--N 1.36 1.037 0 C-N-CA 125.841 1.657 . . . . 0.0 114.605 -172.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.58 -30.26 17.32 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 128.695 2.798 . . . . 0.0 111.339 166.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -90.67 -33.98 15.6 Favored 'General case' 0 C--N 1.368 1.411 0 C-N-CA 126.683 1.993 . . . . 0.0 108.681 175.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -73.38 -5.79 42.06 Favored 'General case' 0 C--N 1.371 1.521 0 C-N-CA 125.024 1.33 . . . . 0.0 113.83 -177.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.07 -29.93 58.15 Favored 'General case' 0 C--N 1.355 0.819 0 O-C-N 120.762 -1.211 . . . . 0.0 112.671 178.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.0 t -91.62 -26.44 18.69 Favored 'General case' 0 C--N 1.365 1.265 0 C-N-CA 124.641 1.176 . . . . 0.0 110.878 165.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -89.15 23.45 2.44 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 125.722 1.609 . . . . 0.0 113.186 -177.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.36 1.023 0 C-N-CA 127.147 2.179 . . . . 0.0 111.526 175.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.9 m . . . . . 0 CA--C 1.512 -0.481 0 CA-C-O 120.876 0.369 . . . . 0.0 111.818 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -88.75 -32.71 17.78 Favored 'General case' 0 C--N 1.362 1.152 0 C-N-CA 130.532 3.533 . . . . 0.0 109.725 177.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -92.57 7.46 43.19 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 127.763 2.425 . . . . 0.0 109.373 -174.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.47 -9.36 10.87 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 127.009 2.123 . . . . 0.0 108.527 169.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -90.84 -39.42 12.35 Favored 'General case' 0 C--N 1.371 1.514 0 CA-C-N 119.18 0.9 . . . . 0.0 109.452 173.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.4 tm0? -76.03 -44.73 37.87 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 125.32 1.448 . . . . 0.0 111.433 -175.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.97 4.84 31.79 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 125.487 1.515 . . . . 0.0 112.247 179.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.27 -22.37 20.61 Favored 'General case' 0 C--N 1.358 0.959 0 C-N-CA 127.15 2.18 . . . . 0.0 111.98 159.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -88.16 -36.05 17.06 Favored 'General case' 0 C--N 1.376 1.741 0 C-N-CA 124.811 1.245 . . . . 0.0 110.605 -164.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -88.96 26.3 1.59 Allowed 'General case' 0 C--N 1.362 1.11 0 C-N-CA 127.661 2.384 . . . . 0.0 111.414 -171.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.46 -52.66 4.8 Favored 'General case' 0 N--CA 1.439 -0.997 0 C-N-CA 128.399 2.679 . . . . 0.0 109.144 157.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -90.53 -34.37 15.56 Favored 'General case' 0 C--N 1.364 1.2 0 C-N-CA 126.693 1.997 . . . . 0.0 110.251 -168.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -70.73 -21.64 62.52 Favored 'General case' 0 C--N 1.359 0.993 0 C-N-CA 129.914 3.286 . . . . 0.0 111.63 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.36 -24.88 50.63 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 125.975 1.71 . . . . 0.0 113.414 -177.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.4 m -90.9 -22.68 20.78 Favored 'General case' 0 C--N 1.36 1.023 0 C-N-CA 125.905 1.682 . . . . 0.0 111.518 170.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -79.31 -29.8 42.55 Favored 'General case' 0 C--N 1.368 1.401 0 C-N-CA 126.175 1.79 . . . . 0.0 111.003 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 . . . . . 0 C--N 1.369 1.419 0 C-N-CA 129.006 2.922 . . . . 0.0 113.635 167.069 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.493 -1.234 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -83.58 -6.01 59.33 Favored 'General case' 0 C--N 1.349 0.582 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -170.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -99.59 -30.02 12.37 Favored 'General case' 0 C--N 1.363 1.183 0 CA-C-O 123.47 1.605 . . . . 0.0 108.442 173.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.57 -27.44 25.52 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 128.417 2.687 . . . . 0.0 111.435 -169.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.26 -14.03 34.14 Favored 'General case' 0 C--N 1.365 1.268 0 C-N-CA 125.483 1.513 . . . . 0.0 111.511 172.106 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.23 -36.71 14.59 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 126.949 2.1 . . . . 0.0 111.189 -179.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.56 -20.24 65.97 Favored 'General case' 0 C--N 1.366 1.294 0 C-N-CA 125.079 1.352 . . . . 0.0 114.08 -176.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.44 -16.4 34.95 Favored 'General case' 0 C--N 1.361 1.075 0 C-N-CA 126.011 1.724 . . . . 0.0 111.519 171.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -81.95 -31.46 31.24 Favored 'General case' 0 C--N 1.369 1.448 0 O-C-N 120.69 -1.257 . . . . 0.0 109.329 179.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -85.78 2.48 45.45 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 125.01 1.324 . . . . 0.0 112.074 175.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.54 -37.54 13.79 Favored 'General case' 0 C--N 1.367 1.348 0 C-N-CA 126.283 1.833 . . . . 0.0 110.762 163.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -86.44 -45.31 11.27 Favored 'General case' 0 C--N 1.376 1.732 0 C-N-CA 125.064 1.346 . . . . 0.0 111.357 -174.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -64.86 -10.3 27.41 Favored 'General case' 0 C--N 1.371 1.53 0 C-N-CA 130.416 3.486 . . . . 0.0 112.728 177.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.66 -30.79 59.53 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 126.515 1.926 . . . . 0.0 112.369 178.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.7 t -91.14 -21.62 21.08 Favored 'General case' 0 C--N 1.362 1.119 0 C-N-CA 125.596 1.558 . . . . 0.0 112.974 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -69.01 -22.53 64.07 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 126.336 1.855 . . . . 0.0 114.608 -168.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 . . . . . 0 C--N 1.361 1.079 0 C-N-CA 127.254 2.221 . . . . 0.0 112.401 172.669 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.7 m . . . . . 0 CA--C 1.488 -1.412 1 N-CA-C 99.455 -4.276 . . . . 0.0 99.455 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -64.02 -20.83 66.2 Favored 'General case' 0 C--N 1.372 1.558 0 C-N-CA 128.283 2.633 . . . . 0.0 113.796 -179.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -76.53 -17.23 59.36 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 128.264 2.625 . . . . 0.0 111.454 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.18 -16.74 15.63 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 124.841 1.256 . . . . 0.0 108.687 174.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.83 -33.42 19.85 Favored 'General case' 0 C--N 1.369 1.442 0 C-N-CA 126.319 1.847 . . . . 0.0 110.982 179.496 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -71.57 -41.01 69.57 Favored 'General case' 0 C--N 1.366 1.292 0 C-N-CA 128.121 2.568 . . . . 0.0 110.407 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.29 -15.01 60.98 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 128.404 2.682 . . . . 0.0 111.966 -179.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.53 -20.72 22.34 Favored 'General case' 0 C--N 1.365 1.281 0 C-N-CA 125.724 1.61 . . . . 0.0 112.42 175.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -88.85 -33.34 17.4 Favored 'General case' 0 C--N 1.368 1.401 0 O-C-N 120.772 -1.205 . . . . 0.0 111.368 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -85.6 2.3 45.63 Favored 'General case' 0 C--N 1.362 1.148 0 C-N-CA 124.333 1.053 . . . . 0.0 111.468 175.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.62 -37.75 13.59 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 126.829 2.052 . . . . 0.0 111.062 173.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -89.96 -21.29 22.51 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 124.25 1.02 . . . . 0.0 111.79 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -61.4 -36.31 79.93 Favored 'General case' 0 C--N 1.366 1.302 0 C-N-CA 125.14 1.376 . . . . 0.0 113.949 176.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.62 -18.82 62.19 Favored 'General case' 0 C--N 1.369 1.421 0 C-N-CA 125.819 1.648 . . . . 0.0 115.002 178.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.4 m -90.99 -17.8 25.69 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 125.451 1.501 . . . . 0.0 111.113 170.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -89.52 -32.08 17.34 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 126.707 2.003 . . . . 0.0 110.242 -173.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 . . . . . 0 C--N 1.365 1.278 0 O-C-N 120.812 -1.18 . . . . 0.0 111.591 170.751 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 65.1 m . . . . . 0 CA--C 1.481 -1.705 0 N-CA-C 102.173 -3.269 . . . . 0.0 102.173 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -65.97 -22.67 66.49 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 127.989 2.515 . . . . 0.0 113.486 -165.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -62.77 -30.62 71.59 Favored 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 127.543 2.337 . . . . 0.0 114.967 170.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -92.59 -40.77 10.59 Favored 'General case' 0 C--N 1.361 1.102 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -81.03 -21.19 40.35 Favored 'General case' 0 C--N 1.361 1.07 0 C-N-CA 125.864 1.666 . . . . 0.0 113.164 -174.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -82.36 -40.11 21.82 Favored 'General case' 0 C--N 1.365 1.259 0 C-N-CA 126.751 2.021 . . . . 0.0 112.458 170.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.4 -34.84 73.01 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 123.894 0.878 . . . . 0.0 112.831 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.6 -14.76 61.69 Favored 'General case' 0 C--N 1.363 1.192 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 173.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -79.93 -28.6 39.69 Favored 'General case' 0 C--N 1.363 1.166 0 C-N-CA 127.104 2.162 . . . . 0.0 112.095 -174.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -75.61 -7.98 55.64 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 128.535 2.734 . . . . 0.0 112.948 -172.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.77 -36.44 14.27 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 126.604 1.962 . . . . 0.0 112.047 178.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.58 -43.62 10.08 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 125.553 1.541 . . . . 0.0 110.635 176.286 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -71.91 -0.74 12.14 Favored 'General case' 0 C--N 1.372 1.575 0 C-N-CA 125.372 1.469 . . . . 0.0 113.547 -174.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.08 -26.62 25.2 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 127.866 2.466 . . . . 0.0 110.541 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.12 -13.53 38.29 Favored 'General case' 0 C--N 1.363 1.174 0 C-N-CA 125.363 1.465 . . . . 0.0 112.509 173.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.2 mttp -86.29 -16.18 38.33 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 127.753 2.421 . . . . 0.0 113.486 -175.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 . . . . . 0 C--N 1.354 0.783 0 C-N-CA 124.847 1.259 . . . . 0.0 111.981 168.387 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.7 m . . . . . 0 CA--C 1.498 -1.051 0 N-CA-C 101.97 -3.344 . . . . 0.0 101.97 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -61.26 -20.23 62.62 Favored 'General case' 0 C--N 1.367 1.358 0 C-N-CA 129.629 3.171 . . . . 0.0 114.956 -178.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -64.35 -28.15 69.5 Favored 'General case' 0 C--N 1.359 1.017 0 C-N-CA 128.535 2.734 . . . . 0.0 114.133 166.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -100.14 -27.39 13.56 Favored 'General case' 0 CA--C 1.492 -1.267 0 O-C-N 120.767 -1.208 . . . . 0.0 109.735 -175.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -75.73 -32.52 60.05 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 128.143 2.577 . . . . 0.0 111.183 177.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.62 -35.82 33.5 Favored 'General case' 0 C--N 1.368 1.401 0 C-N-CA 125.922 1.689 . . . . 0.0 111.442 171.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.52 -28.6 56.44 Favored 'General case' 0 C--N 1.37 1.461 0 C-N-CA 124.408 1.083 . . . . 0.0 112.861 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.49 -21.17 63.7 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 126.944 2.098 . . . . 0.0 114.13 167.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.9 tttt -89.83 -17.47 28.04 Favored 'General case' 0 C--N 1.36 1.023 0 C-N-CA 126.005 1.722 . . . . 0.0 110.431 -171.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -81.63 -10.35 59.44 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 126.835 2.054 . . . . 0.0 111.509 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.19 -27.81 21.59 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 126.026 1.731 . . . . 0.0 112.288 -173.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -90.96 -35.15 14.86 Favored 'General case' 0 CA--C 1.498 -1.046 0 C-N-CA 127.255 2.222 . . . . 0.0 111.003 175.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 -87.05 -17.62 32.49 Favored 'General case' 0 CA--C 1.485 -1.52 0 C-N-CA 125.594 1.558 . . . . 0.0 109.624 -166.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.93 -37.26 76.28 Favored 'General case' 0 C--N 1.368 1.407 0 C-N-CA 127.014 2.126 . . . . 0.0 115.165 175.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.0 t -90.86 -6.18 54.56 Favored 'General case' 0 C--N 1.368 1.394 0 O-C-N 121.248 -0.908 . . . . 0.0 113.273 168.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -92.99 0.2 57.35 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 126.091 1.756 . . . . 0.0 113.143 172.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 . . . . . 0 C--N 1.355 0.845 0 O-C-N 119.798 -1.814 . . . . 0.0 112.471 -163.298 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.4 m . . . . . 0 CA--C 1.503 -0.863 0 CA-C-O 120.951 0.405 . . . . 0.0 111.28 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -82.11 -28.93 31.98 Favored 'General case' 0 C--N 1.361 1.104 0 CA-C-O 125.278 2.466 . . . . 0.0 110.039 175.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -92.61 -16.74 25.27 Favored 'General case' 0 N--CA 1.444 -0.757 1 C-N-CA 132.052 4.141 . . . . 0.0 106.918 -167.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.89 -31.55 19.42 Favored 'General case' 0 C--N 1.363 1.18 0 C-N-CA 127.355 2.262 . . . . 0.0 110.398 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.24 -42.01 16.32 Favored 'General case' 0 C--N 1.36 1.06 0 C-N-CA 127.543 2.337 . . . . 0.0 109.243 -179.573 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -88.33 -1.29 57.94 Favored 'General case' 0 C--N 1.363 1.169 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 -170.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.6 -11.42 40.03 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 126.541 1.936 . . . . 0.0 113.427 173.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.54 -29.35 17.93 Favored 'General case' 0 C--N 1.36 1.031 0 O-C-N 120.105 -1.622 . . . . 0.0 111.651 176.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.8 mttm -90.91 -10.53 42.2 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 128.731 2.812 . . . . 0.0 113.141 -176.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . 0.273 52.0 p30 -32.93 -26.26 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.831 1 C-N-CA 133.381 4.672 . . . . 0.0 121.669 -178.114 . . . . . . . . 3 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.16 -33.48 24.23 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 126.225 1.81 . . . . 0.0 110.832 175.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -89.6 -14.12 35.69 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 125.917 1.687 . . . . 0.0 109.575 175.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -64.21 -18.38 64.46 Favored 'General case' 0 C--N 1.376 1.737 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 -176.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.47 -36.48 79.03 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 116.945 2.202 . . . . 0.0 116.945 173.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . 0.282 0.4 OUTLIER -90.92 -29.38 17.49 Favored 'General case' 0 C--N 1.368 1.384 0 O-C-N 120.996 -1.065 . . . . 0.0 113.333 174.298 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -50.9 -25.31 4.42 Favored 'General case' 0 C--N 1.368 1.405 0 C-N-CA 129.291 3.037 . . . . 0.0 118.717 173.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 . . . . . 0 C--N 1.352 0.708 0 C-N-CA 129.413 3.085 . . . . 0.0 114.059 -168.746 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 . . . . . 0 N--CA 1.482 1.147 0 N-CA-C 103.762 -2.681 . . . . 0.0 103.762 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -131.95 51.38 2.15 Favored 'General case' 0 C--N 1.364 1.236 0 CA-C-N 119.752 1.16 . . . . 0.0 108.342 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.48 -94.29 0.01 OUTLIER 'General case' 0 C--N 1.356 0.888 0 C-N-CA 131.0 3.72 . . . . 0.0 114.268 -169.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -132.12 103.43 6.25 Favored 'General case' 0 N--CA 1.437 -1.117 0 C-N-CA 128.045 2.538 . . . . 0.0 104.682 -175.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -157.7 -179.94 8.63 Favored 'General case' 0 N--CA 1.43 -1.436 1 N-CA-C 96.652 -5.314 . . . . 0.0 96.652 175.313 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.12 106.73 18.68 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 125.432 1.493 . . . . 0.0 108.655 171.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -88.99 -14.23 37.01 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 126.102 1.761 . . . . 0.0 110.382 -174.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -82.9 -23.24 33.66 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 126.588 1.955 . . . . 0.0 112.354 173.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.91 87.98 3.25 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 125.394 1.478 . . . . 0.0 109.2 172.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.9 m -173.21 -173.06 0.87 Allowed 'General case' 0 CA--C 1.492 -1.282 1 N-CA-C 99.058 -4.423 . . . . 0.0 99.058 -175.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.18 -0.5 9.9 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 127.19 2.196 . . . . 0.0 114.653 -176.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -83.05 -22.33 33.55 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 128.61 2.764 . . . . 0.0 111.087 171.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.65 -21.99 16.15 Favored 'General case' 0 C--N 1.367 1.351 0 O-C-N 121.339 -0.851 . . . . 0.0 109.989 170.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -80.56 -37.87 30.6 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 126.478 1.911 . . . . 0.0 111.932 -175.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.32 -34.39 25.69 Favored 'General case' 0 C--N 1.369 1.455 0 C-N-CA 123.552 0.741 . . . . 0.0 111.898 -177.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.12 -11.61 59.98 Favored 'General case' 0 C--N 1.361 1.076 0 C-N-CA 127.023 2.129 . . . . 0.0 112.011 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.63 -18.17 25.6 Favored 'General case' 0 C--N 1.357 0.922 0 C-N-CA 127.021 2.128 . . . . 0.0 112.544 168.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -90.29 -43.94 10.03 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 124.054 0.942 . . . . 0.0 109.165 -175.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -89.94 16.5 8.13 Favored 'General case' 0 C--N 1.361 1.087 0 O-C-N 120.645 -1.285 . . . . 0.0 111.047 176.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.82 -36.45 14.23 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 128.497 2.719 . . . . 0.0 113.171 163.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -82.34 -30.09 30.62 Favored 'General case' 0 C--N 1.385 2.121 0 C-N-CA 125.641 1.576 . . . . 0.0 110.32 -177.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -67.93 -23.04 65.03 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 128.274 2.63 . . . . 0.0 112.458 -161.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.35 -30.96 38.02 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 125.003 1.321 . . . . 0.0 112.336 175.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.3 m -90.3 -13.13 35.86 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 126.059 1.744 . . . . 0.0 112.162 177.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.3 mmtm -72.31 -42.37 65.52 Favored 'General case' 0 C--N 1.367 1.35 0 C-N-CA 125.729 1.611 . . . . 0.0 112.004 165.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -70.95 -59.28 2.87 Favored 'General case' 0 C--N 1.367 1.356 0 C-N-CA 125.05 1.34 . . . . 0.0 112.547 168.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.68 44.82 1.23 Allowed 'General case' 0 C--N 1.364 1.199 0 O-C-N 120.233 -1.542 . . . . 0.0 112.517 -177.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -90.15 -39.61 12.74 Favored 'General case' 0 C--N 1.368 1.388 0 C-N-CA 130.899 3.68 . . . . 0.0 108.324 165.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -67.49 -9.26 40.6 Favored 'General case' 0 C--N 1.375 1.702 0 C-N-CA 128.697 2.799 . . . . 0.0 115.602 -150.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.14 -23.3 21.38 Favored 'General case' 0 C--N 1.359 1.01 0 C-N-CA 124.795 1.238 . . . . 0.0 111.93 172.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.59 -67.49 0.85 Allowed 'General case' 0 C--N 1.363 1.18 0 C-N-CA 125.97 1.708 . . . . 0.0 110.364 171.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.294 9.5 tptp 82.66 67.37 0.02 OUTLIER 'General case' 0 C--N 1.361 1.075 0 C-N-CA 127.847 2.459 . . . . 0.0 113.144 178.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -85.64 36.86 0.67 Allowed 'General case' 0 C--N 1.359 0.979 0 O-C-N 119.118 -2.239 . . . . 0.0 114.661 -168.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.75 -37.96 12.67 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 129.477 3.111 . . . . 0.0 109.246 151.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.1 m -117.28 11.59 7.31 Favored 'Isoleucine or valine' 0 C--N 1.367 1.362 0 C-N-CA 124.747 1.219 . . . . 0.0 109.35 -164.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -143.22 147.74 35.33 Favored 'General case' 0 N--CA 1.441 -0.899 1 N-CA-C 98.401 -4.666 . . . . 0.0 98.401 170.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -159.25 42.69 0.23 Allowed 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 101.666 -3.457 . . . . 0.0 101.666 178.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 46.4 mttm . . . . . 0 C--O 1.26 1.609 0 N-CA-C 105.803 -1.925 . . . . 0.0 105.803 -179.513 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 N--CA 1.5 2.055 1 N-CA-C 122.444 4.239 . . . . 0.0 122.444 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.31 120.29 7.68 Favored 'General case' 0 CA--C 1.5 -0.945 0 CA-C-N 123.005 2.639 . . . . 0.0 104.994 175.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -152.75 3.42 0.33 Allowed 'General case' 0 C--N 1.362 1.116 0 C-N-CA 124.138 0.975 . . . . 0.0 110.883 -172.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? 98.36 146.41 0.02 OUTLIER 'General case' 0 C--N 1.366 1.318 0 C-N-CA 130.193 3.397 . . . . 0.0 108.247 -163.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 75.68 1.57 3.59 Favored 'General case' 0 C--N 1.372 1.553 0 C-N-CA 127.953 2.501 . . . . 0.0 114.923 173.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.09 62.05 6.85 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 129.16 2.984 . . . . 0.0 111.685 -168.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -100.32 152.77 19.93 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 131.532 3.933 . . . . 0.0 108.218 172.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -123.85 34.13 5.14 Favored 'General case' 0 C--N 1.36 1.034 0 C-N-CA 125.234 1.413 . . . . 0.0 111.037 -173.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.22 -6.45 24.2 Favored 'General case' 0 C--N 1.344 0.332 0 C-N-CA 125.321 1.448 . . . . 0.0 113.156 -178.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.316 4.7 m 64.86 31.16 11.76 Favored 'General case' 0 C--N 1.368 1.37 0 C-N-CA 130.814 3.646 . . . . 0.0 116.143 177.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -100.9 -24.56 14.33 Favored 'General case' 0 CA--C 1.505 -0.773 0 C-N-CA 127.936 2.494 . . . . 0.0 109.827 171.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -101.29 -47.05 4.84 Favored 'General case' 0 CA--C 1.495 -1.167 0 C-N-CA 128.11 2.564 . . . . 0.0 109.076 -175.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.67 -17.26 27.13 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 127.397 2.279 . . . . 0.0 111.391 -160.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.406 ' CD ' ' HZ2' ' A' ' 18' ' ' LYS . 8.5 tm-20 -90.88 -31.27 16.49 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 129.294 3.037 . . . . 0.0 108.434 173.184 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -87.35 -30.2 20.97 Favored 'General case' 0 C--N 1.366 1.301 0 C-N-CA 127.367 2.267 . . . . 0.0 110.586 -174.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.43 -15.16 63.52 Favored 'General case' 0 C--N 1.362 1.112 0 C-N-CA 126.36 1.864 . . . . 0.0 113.845 175.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.68 -15.66 29.95 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 128.234 2.614 . . . . 0.0 114.003 171.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.406 ' HZ2' ' CD ' ' A' ' 14' ' ' GLU . 13.5 mmtm -90.5 -15.06 31.48 Favored 'General case' 0 C--N 1.369 1.416 0 C-N-CA 125.508 1.523 . . . . 0.0 111.758 -177.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.406 ' HA ' ' HB2' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -63.63 0.43 0.78 Allowed 'General case' 0 C--N 1.352 0.704 0 C-N-CA 129.72 3.208 . . . . 0.0 118.231 -163.645 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.4 -39.26 12.09 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 127.87 2.468 . . . . 0.0 112.261 167.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -84.82 -17.96 36.44 Favored 'General case' 0 C--N 1.379 1.863 0 C-N-CA 129.593 3.157 . . . . 0.0 108.535 -176.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.406 ' HB2' ' HA ' ' A' ' 19' ' ' ASP . 0.6 OUTLIER -74.65 -16.31 60.78 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 129.126 2.97 . . . . 0.0 115.078 -171.093 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.06 -50.98 51.8 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 170.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.7 t -91.79 8.44 37.11 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 124.9 1.28 . . . . 0.0 113.216 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -82.11 -23.87 35.46 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 127.293 2.237 . . . . 0.0 110.779 -177.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.1 tp10 -90.03 -33.54 16.3 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-O 122.664 1.221 . . . . 0.0 112.161 -178.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.72 -31.04 59.48 Favored 'General case' 0 C--N 1.357 0.904 0 C-N-CA 126.104 1.761 . . . . 0.0 112.729 -176.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 62.8 tt0 -58.4 -62.31 1.94 Allowed 'General case' 0 C--N 1.361 1.087 0 C-N-CA 127.986 2.515 . . . . 0.0 116.641 -175.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -65.81 -29.09 69.52 Favored 'General case' 0 C--N 1.381 1.975 0 C-N-CA 127.342 2.257 . . . . 0.0 111.621 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.18 -45.79 13.48 Favored 'General case' 0 N--CA 1.441 -0.895 0 C-N-CA 128.647 2.779 . . . . 0.0 112.33 -172.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.2 31.41 1.12 Allowed 'General case' 0 C--N 1.361 1.073 0 C-N-CA 126.603 1.961 . . . . 0.0 111.533 171.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -100.13 -84.75 0.42 Allowed 'General case' 0 C--N 1.359 1.003 0 C-N-CA 127.168 2.187 . . . . 0.0 105.705 166.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -67.28 -29.81 69.52 Favored 'General case' 0 C--N 1.366 1.295 0 C-N-CA 127.306 2.242 . . . . 0.0 114.458 -174.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.75 3.74 54.42 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 116.289 1.959 . . . . 0.0 116.289 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 48.7 t -134.21 -63.91 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.22 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 -175.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . 0.258 6.9 p30 -101.06 -35.73 9.24 Favored 'General case' 0 C--N 1.364 1.222 0 O-C-N 122.026 -0.422 . . . . 0.0 110.623 -170.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . 0.3 0.3 OUTLIER 106.62 -1.42 0.01 OUTLIER 'General case' 0 C--N 1.353 0.753 0 C-N-CA 129.734 3.214 . . . . 0.0 111.875 170.102 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? . . . . . 0 C--O 1.268 2.027 0 N-CA-C 101.136 -3.653 . . . . 0.0 101.136 178.06 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 . . . . . 0 CA--C 1.496 -1.108 0 N-CA-C 103.12 -2.919 . . . . 0.0 103.12 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.65 66.75 1.24 Allowed 'General case' 0 C--N 1.355 0.847 0 C-N-CA 125.502 1.521 . . . . 0.0 109.402 176.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.6 p90 -168.17 175.1 6.74 Favored 'General case' 0 C--N 1.355 0.81 1 N-CA-C 99.854 -4.128 . . . . 0.0 99.854 170.129 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt -142.8 -127.3 0.09 Allowed 'General case' 0 C--N 1.354 0.78 0 N-CA-C 103.229 -2.878 . . . . 0.0 103.229 -175.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -120.33 28.52 7.98 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 104.956 -2.239 . . . . 0.0 104.956 164.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.1 135.91 33.45 Favored 'General case' 0 C--N 1.362 1.119 0 C-N-CA 128.421 2.688 . . . . 0.0 104.758 153.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.72 -24.45 15.04 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 126.764 2.026 . . . . 0.0 111.405 -164.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 170.26 -148.72 0.0 OUTLIER 'General case' 0 N--CA 1.439 -0.988 1 N-CA-C 97.995 -4.817 . . . . 0.0 97.995 -167.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -95.74 -103.59 0.16 Allowed 'General case' 0 C--N 1.361 1.093 0 C-N-CA 126.541 1.937 . . . . 0.0 108.447 174.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.2 m -149.93 46.94 0.93 Allowed 'General case' 0 CA--C 1.5 -0.975 0 O-C-N 119.109 -2.245 . . . . 0.0 108.797 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -92.39 -18.2 23.61 Favored 'General case' 0 C--N 1.361 1.087 0 C-N-CA 127.19 2.196 . . . . 0.0 109.739 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -100.42 -7.72 24.02 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 129.549 3.14 . . . . 0.0 107.981 -169.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -99.39 -14.11 19.29 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 127.106 2.163 . . . . 0.0 110.198 -176.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -84.33 -35.02 23.55 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 126.192 1.797 . . . . 0.0 109.779 178.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.68 -26.57 25.88 Favored 'General case' 0 C--N 1.356 0.871 0 O-C-N 120.359 -1.463 . . . . 0.0 109.679 -175.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.11 -6.69 52.35 Favored 'General case' 0 C--N 1.362 1.113 0 C-N-CA 126.707 2.003 . . . . 0.0 113.494 169.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.49 -27.65 19.08 Favored 'General case' 0 C--N 1.366 1.29 0 C-N-CA 124.401 1.08 . . . . 0.0 109.971 167.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -81.67 -35.99 29.27 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 126.021 1.728 . . . . 0.0 112.291 -172.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -90.07 2.97 54.63 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 124.928 1.291 . . . . 0.0 111.251 176.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.75 -53.51 4.38 Favored 'General case' 0 C--N 1.361 1.108 0 C-N-CA 126.482 1.913 . . . . 0.0 109.659 161.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -61.09 -39.35 89.59 Favored 'General case' 0 C--N 1.386 2.161 0 C-N-CA 128.159 2.584 . . . . 0.0 113.548 -179.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -62.89 -13.02 29.14 Favored 'General case' 0 C--N 1.37 1.493 0 C-N-CA 127.046 2.138 . . . . 0.0 116.018 -178.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.15 -28.89 57.57 Favored 'General case' 0 C--N 1.356 0.891 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 173.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.1 m -90.83 -30.98 16.65 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 125.83 1.652 . . . . 0.0 113.494 176.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.473 ' HZ1' ' CD ' ' A' ' 29' ' ' GLU . 25.7 mmmt -60.76 -8.53 3.07 Favored 'General case' 0 C--N 1.362 1.128 0 C-N-CA 129.993 3.317 . . . . 0.0 116.527 -173.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -78.93 -69.87 0.54 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 127.305 2.242 . . . . 0.0 112.208 171.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.17 -27.28 19.68 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 126.847 2.059 . . . . 0.0 112.708 -167.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -89.84 -13.38 36.64 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 124.802 1.241 . . . . 0.0 109.806 -177.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.473 ' CD ' ' HZ1' ' A' ' 25' ' ' LYS . 1.7 tt0 -89.44 -27.06 20.64 Favored 'General case' 0 C--N 1.361 1.084 0 CA-C-O 122.092 0.949 . . . . 0.0 110.472 172.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.52 -42.46 22.42 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 125.771 1.628 . . . . 0.0 110.935 174.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.72 40.72 0.95 Allowed 'General case' 0 C--N 1.367 1.366 0 C-N-CA 126.17 1.788 . . . . 0.0 112.031 172.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -135.43 -87.98 0.35 Allowed 'General case' 0 CA--C 1.486 -1.5 0 N-CA-C 104.841 -2.281 . . . . 0.0 104.841 169.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -80.38 -26.17 38.73 Favored 'General case' 0 C--N 1.365 1.257 0 O-C-N 121.922 -0.486 . . . . 0.0 111.636 -159.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.36 14.48 14.47 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 124.771 1.228 . . . . 0.0 112.831 175.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.5 t -122.92 -68.03 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.361 1.069 0 C-N-CA 125.895 1.678 . . . . 0.0 107.956 177.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -104.17 -33.46 8.72 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 121.066 -1.021 . . . . 0.0 111.672 -156.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 78.13 25.11 0.64 Allowed 'General case' 0 C--N 1.365 1.278 0 C-N-CA 128.225 2.61 . . . . 0.0 110.852 169.33 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.5 mttp . . . . . 0 C--O 1.262 1.75 0 C-N-CA 127.176 2.19 . . . . 0.0 105.097 -171.758 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 . . . . . 0 N--CA 1.492 1.674 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.2 -14.15 25.88 Favored 'General case' 0 C--N 1.363 1.178 0 C-N-CA 124.953 1.301 . . . . 0.0 111.388 173.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -150.25 159.49 44.4 Favored 'General case' 0 N--CA 1.442 -0.83 1 N-CA-C 98.393 -4.669 . . . . 0.0 98.393 159.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.254 8.2 mmpt? 37.23 -135.3 0.07 Allowed 'General case' 0 C--N 1.367 1.353 0 C-N-CA 131.531 3.932 . . . . 0.0 117.336 172.188 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . 0.341 36.8 mtpt 61.18 114.58 0.02 OUTLIER 'General case' 0 C--N 1.36 1.044 0 C-N-CA 128.956 2.902 . . . . 0.0 117.833 178.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.43 131.81 35.98 Favored 'General case' 0 C--N 1.361 1.096 0 C-N-CA 125.227 1.411 . . . . 0.0 107.939 174.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -101.14 -170.41 1.84 Allowed 'General case' 0 C--N 1.361 1.097 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 177.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -117.61 53.44 0.93 Allowed 'General case' 0 CA--C 1.5 -0.944 0 CA-C-O 122.931 1.348 . . . . 0.0 107.494 173.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.55 -123.36 0.16 Allowed 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 105.677 -1.972 . . . . 0.0 105.677 165.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.5 m -156.02 62.38 0.57 Allowed 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 102.117 -3.29 . . . . 0.0 102.117 171.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.7 -16.35 28.67 Favored 'General case' 0 C--N 1.363 1.178 0 C-N-CA 125.658 1.583 . . . . 0.0 109.553 173.198 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -71.75 -42.48 67.18 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 127.793 2.437 . . . . 0.0 111.547 -171.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.42 -6.15 59.37 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 126.109 1.763 . . . . 0.0 111.984 -178.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -90.46 -42.22 10.99 Favored 'General case' 0 C--N 1.359 1.006 0 C-N-CA 128.318 2.647 . . . . 0.0 109.427 172.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.6 -43.53 18.52 Favored 'General case' 0 C--N 1.362 1.114 0 C-N-CA 126.835 2.054 . . . . 0.0 111.76 -176.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.85 -15.61 61.61 Favored 'General case' 0 C--N 1.37 1.471 0 C-N-CA 126.507 1.923 . . . . 0.0 112.866 -177.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.09 -24.49 30.32 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 128.078 2.551 . . . . 0.0 112.223 173.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -91.19 -24.8 19.81 Favored 'General case' 0 C--N 1.373 1.623 0 C-N-CA 124.937 1.295 . . . . 0.0 112.601 -178.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -88.13 16.7 5.8 Favored 'General case' 0 C--N 1.363 1.175 0 O-C-N 120.769 -1.207 . . . . 0.0 111.205 176.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.71 -36.63 14.21 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 126.196 1.798 . . . . 0.0 110.658 169.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -90.97 -47.0 7.83 Favored 'General case' 0 C--N 1.37 1.465 0 C-N-CA 127.713 2.405 . . . . 0.0 107.808 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -68.13 -10.01 50.84 Favored 'General case' 0 C--N 1.373 1.603 0 C-N-CA 128.335 2.654 . . . . 0.0 114.418 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.7 -41.9 64.78 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 124.818 1.247 . . . . 0.0 112.537 174.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.5 m -91.26 -16.63 27.28 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 124.345 1.058 . . . . 0.0 113.424 -177.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm -64.09 -24.28 67.64 Favored 'General case' 0 C--N 1.365 1.26 0 C-N-CA 126.276 1.83 . . . . 0.0 115.728 -178.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -61.83 -33.99 75.14 Favored 'General case' 0 C--N 1.372 1.562 0 C-N-CA 128.474 2.71 . . . . 0.0 113.44 166.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.27 -17.68 25.58 Favored 'General case' 0 C--N 1.364 1.214 0 C-N-CA 125.692 1.597 . . . . 0.0 111.022 -177.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -89.89 -42.84 10.99 Favored 'General case' 0 C--N 1.358 0.938 0 C-N-CA 125.133 1.373 . . . . 0.0 108.671 -164.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.16 -19.54 24.13 Favored 'General case' 0 C--N 1.37 1.485 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 173.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.91 -23.9 44.47 Favored 'General case' 0 C--N 1.363 1.183 0 O-C-N 119.607 -1.933 . . . . 0.0 111.315 175.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.438 ' HA ' ' O ' ' A' ' 36' ' ' ASN . . . -90.75 51.4 1.97 Allowed 'General case' 0 C--N 1.369 1.441 0 C-N-CA 127.158 2.183 . . . . 0.0 110.61 162.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.02 -45.59 0.08 Allowed 'General case' 0 N--CA 1.434 -1.231 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.93 -50.92 2.51 Favored 'General case' 0 C--N 1.385 2.124 0 C-N-CA 129.398 3.079 . . . . 0.0 116.717 -177.292 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.02 -80.03 0.35 Allowed 'General case' 0 C--N 1.361 1.108 0 C-N-CA 126.139 1.776 . . . . 0.0 112.692 166.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.6 t -158.62 -51.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.362 1.144 0 C-N-CA 129.028 2.931 . . . . 0.0 103.763 -177.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.438 ' O ' ' HA ' ' A' ' 31' ' ' ALA . 21.6 t-20 -136.76 -87.19 0.31 Allowed 'General case' 0 C--N 1.36 1.022 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 -171.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 67.4 41.57 2.4 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 125.151 1.381 . . . . 0.0 113.699 178.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.26 1.643 0 O-C-N 119.923 -1.736 . . . . 0.0 108.638 -170.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.501 -0.922 0 N-CA-C 101.794 -3.41 . . . . 0.0 101.794 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -166.09 62.66 0.1 Allowed 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 105.07 -2.196 . . . . 0.0 105.07 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -134.77 -147.19 0.27 Allowed 'General case' 0 C--N 1.351 0.641 0 N-CA-C 105.021 -2.215 . . . . 0.0 105.021 175.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -156.29 119.21 4.16 Favored 'General case' 0 N--CA 1.437 -1.097 1 N-CA-C 99.038 -4.431 . . . . 0.0 99.038 -173.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.5 mmtt -129.81 172.56 11.53 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 105.563 -2.014 . . . . 0.0 105.563 -170.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.95 -130.92 0.11 Allowed 'General case' 0 C--N 1.367 1.345 0 C-N-CA 127.914 2.486 . . . . 0.0 112.269 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.7 ptpp? -100.77 88.94 3.71 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 126.348 1.859 . . . . 0.0 107.311 172.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.8 mp0 -118.75 -85.28 0.65 Allowed 'General case' 0 C--N 1.355 0.834 0 N-CA-C 102.783 -3.043 . . . . 0.0 102.783 171.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.91 84.84 7.57 Favored 'General case' 0 C--N 1.364 1.211 0 O-C-N 120.746 -1.221 . . . . 0.0 113.073 -162.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.9 m 176.06 -147.16 0.01 OUTLIER 'General case' 0 N--CA 1.435 -1.207 1 N-CA-C 97.64 -4.948 . . . . 0.0 97.64 -165.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -71.45 -26.39 62.7 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 127.036 2.134 . . . . 0.0 114.072 -167.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -76.08 -17.94 59.42 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 127.422 2.289 . . . . 0.0 113.38 173.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -95.19 -29.85 14.32 Favored 'General case' 0 C--N 1.362 1.123 0 O-C-N 120.727 -1.233 . . . . 0.0 109.067 170.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.5 -40.92 22.49 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 126.002 1.721 . . . . 0.0 111.463 -171.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.76 -28.45 36.44 Favored 'General case' 0 C--N 1.367 1.37 0 C-N-CA 125.339 1.456 . . . . 0.0 111.955 -179.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.27 -2.95 40.44 Favored 'General case' 0 C--N 1.367 1.341 0 C-N-CA 124.908 1.283 . . . . 0.0 113.861 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.36 -28.68 18.54 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 125.895 1.678 . . . . 0.0 111.819 167.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -90.36 -36.15 14.8 Favored 'General case' 0 C--N 1.362 1.139 0 C-N-CA 126.973 2.109 . . . . 0.0 111.164 -174.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.96 -8.83 59.55 Favored 'General case' 0 C--N 1.368 1.407 0 C-N-CA 125.604 1.562 . . . . 0.0 111.808 178.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.94 -31.87 25.37 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 127.777 2.431 . . . . 0.0 111.593 174.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.56 -25.66 20.1 Favored 'General case' 0 C--N 1.374 1.662 0 C-N-CA 124.402 1.081 . . . . 0.0 111.623 176.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -77.89 1.02 21.84 Favored 'General case' 0 C--N 1.368 1.398 0 C-N-CA 126.485 1.914 . . . . 0.0 113.169 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.27 -33.45 24.02 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 126.389 1.876 . . . . 0.0 112.172 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.2 t -90.98 -35.55 14.61 Favored 'General case' 0 C--N 1.368 1.394 0 C-N-CA 124.37 1.068 . . . . 0.0 110.313 173.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -52.18 -29.39 22.13 Favored 'General case' 0 C--N 1.365 1.274 0 N-CA-C 116.467 2.025 . . . . 0.0 116.467 -177.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -71.43 -18.35 62.33 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 129.984 3.313 . . . . 0.0 114.419 174.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.34 -51.13 5.58 Favored 'General case' 0 C--N 1.367 1.345 0 C-N-CA 126.576 1.95 . . . . 0.0 108.848 169.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -60.11 -40.48 89.81 Favored 'General case' 0 C--N 1.374 1.632 0 C-N-CA 126.647 1.979 . . . . 0.0 115.005 179.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . 0.272 5.4 pt-20 -90.09 -2.69 58.14 Favored 'General case' 0 C--N 1.369 1.434 0 O-C-N 120.463 -1.398 . . . . 0.0 113.526 176.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.58 -50.23 6.05 Favored 'General case' 0 C--N 1.369 1.433 0 CA-C-O 123.137 1.446 . . . . 0.0 109.061 168.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.69 51.0 2.08 Favored 'General case' 0 C--N 1.359 1.006 0 C-N-CA 126.459 1.904 . . . . 0.0 111.655 176.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.518 ' HZ1' ' C ' ' A' ' 38' ' ' LYS . 54.7 tttm -157.19 -59.61 0.09 Allowed 'General case' 0 N--CA 1.429 -1.521 0 N-CA-C 102.836 -3.024 . . . . 0.0 102.836 164.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . 0.27 50.3 mt-10 -80.73 -23.15 39.65 Favored 'General case' 0 C--N 1.366 1.287 0 N-CA-C 115.046 1.499 . . . . 0.0 115.046 -171.477 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.47 -35.05 14.56 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-N 122.055 2.207 . . . . 0.0 113.058 171.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.1 t -83.46 -21.54 8.75 Favored 'Isoleucine or valine' 0 C--N 1.359 1.001 0 C-N-CA 125.334 1.454 . . . . 0.0 111.66 -165.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -151.22 -34.67 0.14 Allowed 'General case' 0 CA--C 1.495 -1.154 0 CA-C-O 118.204 -0.903 . . . . 0.0 109.824 177.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 tp 83.78 19.38 0.19 Allowed 'General case' 0 C--N 1.371 1.52 0 C-N-CA 124.759 1.224 . . . . 0.0 110.448 172.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.518 ' C ' ' HZ1' ' A' ' 32' ' ' LYS . 9.5 pttm . . . . . 0 C--O 1.268 2.055 0 N-CA-C 104.816 -2.29 . . . . 0.0 104.816 -176.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 N--CA 1.504 2.247 0 N-CA-C 117.243 2.312 . . . . 0.0 117.243 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.82 -139.13 0.38 Allowed 'General case' 0 C--N 1.36 1.054 0 O-C-N 118.242 -2.786 . . . . 0.0 112.548 -169.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -174.72 169.16 3.6 Favored 'General case' 0 N--CA 1.439 -0.992 1 N-CA-C 97.206 -5.109 . . . . 0.0 97.206 167.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -139.84 -79.82 0.3 Allowed 'General case' 0 CA--C 1.497 -1.084 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 163.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.0 mmtm -148.84 -84.28 0.1 Allowed 'General case' 0 C--N 1.355 0.826 0 N-CA-C 104.815 -2.291 . . . . 0.0 104.815 -173.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.7 -50.96 5.62 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 124.862 1.265 . . . . 0.0 112.668 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -101.33 -176.16 3.07 Favored 'General case' 0 C--N 1.362 1.119 0 C-N-CA 125.76 1.624 . . . . 0.0 108.702 171.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -103.12 -142.3 0.36 Allowed 'General case' 0 C--N 1.363 1.188 0 C-N-CA 125.714 1.606 . . . . 0.0 108.565 -176.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.67 -174.35 2.62 Favored 'General case' 0 C--N 1.365 1.24 0 C-N-CA 126.558 1.943 . . . . 0.0 107.884 -175.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.1 m -127.84 24.6 6.06 Favored 'General case' 0 CA--C 1.504 -0.799 0 C-N-CA 123.911 0.884 . . . . 0.0 109.799 -177.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -100.42 -38.64 8.33 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 124.841 1.256 . . . . 0.0 110.332 -168.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.7 -25.39 60.2 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 131.112 3.765 . . . . 0.0 110.69 -173.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.52 -16.84 31.62 Favored 'General case' 0 C--N 1.364 1.229 0 C-N-CA 128.135 2.574 . . . . 0.0 111.673 176.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -90.9 -49.87 6.19 Favored 'General case' 0 C--N 1.373 1.612 0 C-N-CA 125.044 1.338 . . . . 0.0 108.916 172.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -64.95 -33.2 75.47 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 125.356 1.462 . . . . 0.0 112.799 -169.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.64 -13.97 26.92 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 126.842 2.057 . . . . 0.0 115.837 169.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.92 -27.04 19.0 Favored 'General case' 0 C--N 1.365 1.274 0 C-N-CA 125.548 1.539 . . . . 0.0 113.117 171.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -90.07 -24.02 21.26 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 126.915 2.086 . . . . 0.0 111.004 178.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -79.24 5.9 11.14 Favored 'General case' 0 C--N 1.36 1.052 0 C-N-CA 127.262 2.225 . . . . 0.0 112.479 177.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.14 -34.02 16.02 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 127.308 2.243 . . . . 0.0 110.592 163.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -90.09 -32.14 16.83 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 125.333 1.453 . . . . 0.0 109.033 -174.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -77.23 -0.44 25.24 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 129.066 2.946 . . . . 0.0 113.487 167.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -90.44 -51.1 5.58 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 124.659 1.183 . . . . 0.0 109.992 169.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.4 p -90.71 12.64 18.48 Favored 'General case' 0 C--N 1.356 0.891 0 N-CA-C 115.649 1.722 . . . . 0.0 115.649 -178.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.54 -25.96 28.37 Favored 'General case' 0 C--N 1.363 1.162 0 O-C-N 120.373 -1.454 . . . . 0.0 110.512 178.097 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -90.99 25.71 2.35 Favored 'General case' 0 C--N 1.359 1.015 0 C-N-CA 127.204 2.202 . . . . 0.0 111.909 169.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.23 3.63 54.34 Favored 'General case' 0 C--N 1.363 1.166 0 C-N-CA 125.897 1.679 . . . . 0.0 111.227 164.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -70.12 -33.13 71.46 Favored 'General case' 0 C--N 1.374 1.668 0 C-N-CA 127.369 2.268 . . . . 0.0 112.223 -171.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -91.01 7.63 39.38 Favored 'General case' 0 C--N 1.362 1.14 0 N-CA-C 115.688 1.736 . . . . 0.0 115.688 165.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.15 -33.73 16.12 Favored 'General case' 0 C--N 1.366 1.321 0 O-C-N 120.221 -1.549 . . . . 0.0 108.618 168.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.41 36.69 0.07 Allowed 'General case' 0 C--N 1.363 1.185 0 C-N-CA 128.461 2.705 . . . . 0.0 114.264 172.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -125.24 -44.24 1.89 Allowed 'General case' 0 N--CA 1.438 -1.044 0 C-N-CA 129.218 3.007 . . . . 0.0 109.387 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -100.16 -16.98 17.61 Favored 'General case' 0 C--N 1.369 1.427 0 C-N-CA 124.174 0.99 . . . . 0.0 111.28 172.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.73 -38.98 12.69 Favored 'General case' 0 C--N 1.361 1.077 0 N-CA-C 114.444 1.275 . . . . 0.0 114.444 -177.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.0 t -108.64 -12.64 10.8 Favored 'Isoleucine or valine' 0 C--N 1.358 0.974 0 CA-C-O 122.757 1.265 . . . . 0.0 109.29 -165.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -160.47 -165.27 1.39 Allowed 'General case' 0 N--CA 1.434 -1.228 1 N-CA-C 98.161 -4.755 . . . . 0.0 98.161 178.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -171.68 56.06 0.03 OUTLIER 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 101.834 -3.395 . . . . 0.0 101.834 169.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.8 mttm . . . . . 0 C--O 1.263 1.766 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 178.853 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.554 ' H2 ' ' CD ' ' A' ' 1' ' ' GLU . 2.0 mp0 . . . . . 0 CA--C 1.49 -1.344 1 N-CA-C 99.227 -4.36 . . . . 0.0 99.227 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 74.0 44.26 0.27 Allowed 'General case' 0 C--N 1.365 1.254 0 C-N-CA 125.401 1.481 . . . . 0.0 114.444 173.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -86.38 118.59 25.91 Favored 'General case' 0 C--N 1.368 1.403 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 -177.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -175.44 -171.5 0.49 Allowed 'General case' 0 N--CA 1.423 -1.789 1 N-CA-C 96.561 -5.348 . . . . 0.0 96.561 -159.01 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -134.94 84.92 2.14 Favored 'General case' 0 N--CA 1.428 -1.545 0 N-CA-C 102.687 -3.079 . . . . 0.0 102.687 168.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.02 -4.3 56.53 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 126.528 1.931 . . . . 0.0 111.815 177.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -100.66 160.05 14.67 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 128.891 2.876 . . . . 0.0 106.014 173.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . 0.31 7.8 tt0 94.61 46.0 0.0 OUTLIER 'General case' 0 C--N 1.372 1.579 0 C-N-CA 127.035 2.134 . . . . 0.0 110.127 -173.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.42 -45.2 5.39 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-N 112.15 -2.295 . . . . 0.0 113.927 -171.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.1 m 174.0 -177.83 0.09 Allowed 'General case' 0 CA--C 1.491 -1.3 1 N-CA-C 100.031 -4.062 . . . . 0.0 100.031 -172.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -51.03 -31.56 18.82 Favored 'General case' 0 C--N 1.368 1.383 0 C-N-CA 130.006 3.322 . . . . 0.0 114.857 175.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.23 -43.04 92.37 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 130.085 3.354 . . . . 0.0 115.196 171.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.99 -26.13 16.95 Favored 'General case' 0 CA--C 1.491 -1.315 0 C-N-CA 124.95 1.3 . . . . 0.0 108.31 -173.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.74 -24.72 35.93 Favored 'General case' 0 C--N 1.365 1.254 0 C-N-CA 124.638 1.175 . . . . 0.0 111.219 179.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.07 -38.19 13.74 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 125.257 1.423 . . . . 0.0 112.104 175.378 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.92 -25.77 53.32 Favored 'General case' 0 C--N 1.365 1.253 0 CA-C-O 122.171 0.986 . . . . 0.0 112.533 -174.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.07 -8.41 51.5 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 123.994 0.918 . . . . 0.0 111.519 176.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.4 tttm -82.62 -42.05 18.72 Favored 'General case' 0 C--N 1.362 1.149 0 C-N-CA 125.898 1.679 . . . . 0.0 109.188 -176.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -75.06 -31.91 61.37 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 127.705 2.402 . . . . 0.0 110.856 175.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.27 -28.63 18.68 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 125.566 1.547 . . . . 0.0 113.901 -173.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -90.13 -18.57 25.58 Favored 'General case' 0 C--N 1.37 1.499 0 CA-C-N 120.31 1.414 . . . . 0.0 112.106 172.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -79.6 -28.72 41.01 Favored 'General case' 0 C--N 1.366 1.287 0 CA-C-N 120.422 1.464 . . . . 0.0 112.131 -176.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.66 -27.34 63.96 Favored 'General case' 0 C--N 1.36 1.028 0 C-N-CA 124.841 1.256 . . . . 0.0 113.254 -176.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -90.93 -7.8 51.1 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 126.09 1.756 . . . . 0.0 112.977 173.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -91.01 -29.08 17.58 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 127.763 2.425 . . . . 0.0 110.992 173.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -76.2 -3.94 39.07 Favored 'General case' 0 C--N 1.372 1.555 0 C-N-CA 126.842 2.057 . . . . 0.0 112.061 172.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.72 -3.43 53.7 Favored 'General case' 0 C--N 1.359 1.022 0 C-N-CA 126.296 1.838 . . . . 0.0 113.593 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.23 -40.38 77.44 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 130.771 3.629 . . . . 0.0 114.01 -177.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -90.42 -22.97 21.17 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 126.813 2.045 . . . . 0.0 112.704 -174.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.26 -38.05 14.5 Favored 'General case' 0 C--N 1.36 1.054 0 C-N-CA 127.364 2.266 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.93 40.61 1.03 Allowed 'General case' 0 C--N 1.364 1.214 0 C-N-CA 126.41 1.884 . . . . 0.0 111.438 171.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.46 -90.44 0.55 Allowed 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 104.351 -2.462 . . . . 0.0 104.351 178.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -88.59 -7.65 56.06 Favored 'General case' 0 C--N 1.363 1.166 0 C-N-CA 126.19 1.796 . . . . 0.0 112.444 -161.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.13 -30.55 16.65 Favored 'General case' 0 C--N 1.355 0.84 0 C-N-CA 124.455 1.102 . . . . 0.0 112.828 170.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.1 t -108.02 -48.44 7.78 Favored 'Isoleucine or valine' 0 C--N 1.363 1.179 0 C-N-CA 124.082 0.953 . . . . 0.0 110.48 -162.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -111.64 -18.38 12.8 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 121.303 -0.873 . . . . 0.0 110.058 -176.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . 0.269 7.4 mp 86.91 5.22 0.35 Allowed 'General case' 0 C--N 1.36 1.044 0 C-N-CA 127.752 2.421 . . . . 0.0 112.836 165.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.264 1.867 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 -166.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 . . . . . 0 N--CA 1.486 1.332 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.91 -145.97 0.38 Allowed 'General case' 0 C--N 1.36 1.043 0 C-N-CA 124.828 1.251 . . . . 0.0 107.739 174.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -94.3 -156.3 0.49 Allowed 'General case' 0 C--N 1.36 1.037 0 C-N-CA 127.044 2.137 . . . . 0.0 105.766 171.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.83 70.35 0.86 Allowed 'General case' 0 CA--C 1.503 -0.832 0 N-CA-C 104.857 -2.275 . . . . 0.0 104.857 174.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.9 ptpp? -138.79 1.71 2.11 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 123.076 0.55 . . . . 0.0 110.279 166.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.93 177.88 6.17 Favored 'General case' 0 C--N 1.367 1.368 0 O-C-N 120.695 -1.253 . . . . 0.0 111.267 -176.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.69 -17.21 32.29 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 126.459 1.904 . . . . 0.0 110.629 177.247 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.63 113.72 24.73 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 104.129 -2.545 . . . . 0.0 104.129 175.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.82 -25.24 14.18 Favored 'General case' 0 C--N 1.357 0.931 0 C-N-CA 123.695 0.798 . . . . 0.0 110.945 172.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.7 m -175.73 -169.97 0.37 Allowed 'General case' 0 CA--C 1.493 -1.215 0 N-CA-C 101.063 -3.68 . . . . 0.0 101.063 176.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -56.53 -33.15 65.8 Favored 'General case' 0 C--N 1.373 1.625 0 C-N-CA 127.789 2.436 . . . . 0.0 114.556 -175.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -72.37 -10.01 59.23 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 129.86 3.264 . . . . 0.0 114.613 175.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.12 -27.37 12.6 Favored 'General case' 0 CA--C 1.502 -0.894 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 176.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -87.65 -30.69 20.24 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 126.212 1.805 . . . . 0.0 109.684 -173.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -83.28 -27.67 29.68 Favored 'General case' 0 C--N 1.365 1.25 0 C-N-CA 130.223 3.409 . . . . 0.0 110.791 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.93 -1.52 57.82 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 125.084 1.354 . . . . 0.0 112.911 174.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.81 -22.71 20.87 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 126.121 1.768 . . . . 0.0 111.502 164.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.8 mttp -87.17 -21.13 26.11 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 126.642 1.977 . . . . 0.0 111.088 -155.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -91.4 -8.73 47.1 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 127.22 2.208 . . . . 0.0 113.774 171.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.71 -28.09 18.55 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 125.369 1.468 . . . . 0.0 111.448 177.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.02 -35.64 25.64 Favored 'General case' 0 C--N 1.368 1.398 0 C-N-CA 125.078 1.351 . . . . 0.0 109.376 172.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.44 ' HA ' ' HB2' ' A' ' 25' ' ' LYS . 44.6 m-20 -78.53 13.19 1.68 Allowed 'General case' 0 C--N 1.364 1.227 0 C-N-CA 125.054 1.341 . . . . 0.0 114.39 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.6 -27.61 21.23 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 125.709 1.604 . . . . 0.0 112.035 168.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.2 p -90.41 -31.79 16.69 Favored 'General case' 0 C--N 1.369 1.436 0 CA-C-O 123.263 1.506 . . . . 0.0 110.16 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.44 ' HB2' ' HA ' ' A' ' 22' ' ' ASN . 6.7 mtpm? -82.88 24.76 0.72 Allowed 'General case' 0 C--N 1.355 0.811 0 C-N-CA 129.224 3.01 . . . . 0.0 112.273 175.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -89.67 -38.22 14.05 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 129.31 3.044 . . . . 0.0 106.961 163.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.03 -51.26 5.43 Favored 'General case' 0 C--N 1.365 1.245 0 C-N-CA 126.068 1.747 . . . . 0.0 111.193 172.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -71.74 10.85 0.59 Allowed 'General case' 0 C--N 1.372 1.547 0 C-N-CA 127.128 2.171 . . . . 0.0 115.443 -176.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -82.97 -20.57 34.93 Favored 'General case' 0 C--N 1.365 1.242 0 O-C-N 119.507 -1.995 . . . . 0.0 111.158 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.23 -16.16 55.39 Favored 'General case' 0 C--N 1.368 1.381 0 C-N-CA 124.266 1.027 . . . . 0.0 113.176 174.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.29 -69.04 0.76 Allowed 'General case' 0 C--N 1.374 1.674 0 C-N-CA 127.584 2.354 . . . . 0.0 111.08 167.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.9 tttt 78.22 50.22 0.04 OUTLIER 'General case' 0 C--N 1.37 1.462 0 C-N-CA 126.396 1.879 . . . . 0.0 115.038 164.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.402 ' H ' ' CD ' ' A' ' 33' ' ' GLU . 0.6 OUTLIER -91.98 20.33 5.89 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 128.814 2.845 . . . . 0.0 112.882 -158.417 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.1 -51.62 5.23 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 129.982 3.313 . . . . 0.0 110.51 163.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.8 m -123.23 26.66 3.27 Favored 'Isoleucine or valine' 0 C--N 1.361 1.093 0 CA-C-O 122.111 0.958 . . . . 0.0 109.539 -161.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 22.6 t30 -155.5 150.68 26.82 Favored 'General case' 0 N--CA 1.43 -1.434 1 N-CA-C 95.585 -5.709 . . . . 0.0 95.585 173.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 175.51 50.66 0.0 OUTLIER 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 102.289 -3.226 . . . . 0.0 102.289 -175.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.263 1.774 0 N-CA-C 100.937 -3.727 . . . . 0.0 100.937 169.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 . . . . . 0 N--CA 1.487 1.404 0 N-CA-C 104.782 -2.303 . . . . 0.0 104.782 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.48 74.24 9.37 Favored 'General case' 0 C--N 1.359 1.008 0 CA-C-N 121.121 1.782 . . . . 0.0 112.235 170.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -168.41 167.98 11.52 Favored 'General case' 0 C--N 1.356 0.877 1 N-CA-C 98.644 -4.576 . . . . 0.0 98.644 172.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -103.21 40.23 1.44 Allowed 'General case' 0 C--N 1.357 0.934 0 C-N-CA 125.753 1.621 . . . . 0.0 110.08 -165.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -104.64 -23.75 13.05 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 129.241 3.017 . . . . 0.0 105.918 -178.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.51 120.73 32.57 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 128.754 2.822 . . . . 0.0 106.028 160.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.4 ptmm? -101.5 -153.35 0.45 Allowed 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 127.749 2.42 . . . . 0.0 107.105 171.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -80.77 -24.59 38.52 Favored 'General case' 0 C--N 1.368 1.385 0 O-C-N 120.053 -1.655 . . . . 0.0 112.087 177.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.0 96.59 7.35 Favored 'General case' 0 C--N 1.36 1.063 0 N-CA-C 105.495 -2.039 . . . . 0.0 105.495 176.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.2 m 174.73 -150.45 0.01 OUTLIER 'General case' 0 CA--C 1.495 -1.15 1 N-CA-C 97.368 -5.049 . . . . 0.0 97.368 -160.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -71.08 -28.74 64.56 Favored 'General case' 0 C--N 1.36 1.028 0 C-N-CA 127.699 2.4 . . . . 0.0 112.418 -176.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -83.87 5.75 24.09 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 126.904 2.082 . . . . 0.0 113.497 175.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.61 -25.72 13.07 Favored 'General case' 0 C--N 1.365 1.245 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 158.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.496 ' CD ' ' HZ2' ' A' ' 18' ' ' LYS . 18.3 tt0 -86.85 -44.79 11.43 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 126.144 1.777 . . . . 0.0 109.436 -162.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.5 tp60 -65.04 -24.29 67.43 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 130.485 3.514 . . . . 0.0 112.839 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.09 -19.35 32.01 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 126.54 1.936 . . . . 0.0 111.916 174.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.76 -24.32 20.4 Favored 'General case' 0 C--N 1.371 1.519 0 O-C-N 121.147 -0.971 . . . . 0.0 110.394 170.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.496 ' HZ2' ' CD ' ' A' ' 14' ' ' GLU . 29.7 mttp -77.87 -18.68 55.94 Favored 'General case' 0 C--N 1.368 1.401 0 C-N-CA 127.742 2.417 . . . . 0.0 111.699 -173.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -81.96 -26.62 33.8 Favored 'General case' 0 C--N 1.358 0.935 0 C-N-CA 126.287 1.835 . . . . 0.0 111.035 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.52 -29.76 23.96 Favored 'General case' 0 C--N 1.359 0.991 0 C-N-CA 125.574 1.55 . . . . 0.0 112.435 -177.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.97 -6.65 55.44 Favored 'General case' 0 C--N 1.36 1.054 0 C-N-CA 125.022 1.329 . . . . 0.0 112.352 171.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -85.14 -16.64 39.77 Favored 'General case' 0 C--N 1.37 1.48 0 C-N-CA 127.267 2.227 . . . . 0.0 111.63 176.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.0 -21.88 66.43 Favored 'General case' 0 C--N 1.361 1.077 0 N-CA-C 116.022 1.86 . . . . 0.0 116.022 177.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.9 m -91.06 -17.71 25.78 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 125.878 1.671 . . . . 0.0 113.7 172.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -90.78 -24.15 20.43 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 129.279 3.032 . . . . 0.0 111.556 -170.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -77.57 18.16 0.46 Allowed 'General case' 0 C--N 1.368 1.377 0 C-N-CA 127.141 2.176 . . . . 0.0 112.601 173.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.7 -27.2 19.13 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 128.742 2.817 . . . . 0.0 112.221 171.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -82.01 8.0 11.74 Favored 'General case' 0 C--N 1.375 1.691 0 C-N-CA 126.595 1.958 . . . . 0.0 114.045 -173.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.81 -30.02 35.92 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 127.502 2.321 . . . . 0.0 110.416 176.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.09 -19.38 43.79 Favored 'General case' 0 C--N 1.356 0.889 0 C-N-CA 127.426 2.29 . . . . 0.0 112.27 -175.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.69 -1.15 57.88 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 126.489 1.915 . . . . 0.0 110.722 171.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -129.5 -71.35 0.62 Allowed 'General case' 0 C--N 1.364 1.238 0 CA-C-O 121.957 0.884 . . . . 0.0 111.933 -171.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -100.96 6.49 43.58 Favored 'General case' 0 CA--C 1.506 -0.75 0 O-C-N 119.803 -1.81 . . . . 0.0 112.245 -165.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -92.52 -68.73 0.78 Allowed 'General case' 0 C--N 1.36 1.052 0 C-N-CA 125.313 1.445 . . . . 0.0 114.001 149.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.1 m -95.17 -4.38 10.43 Favored 'Isoleucine or valine' 0 C--N 1.363 1.176 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -156.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -119.93 -83.21 0.65 Allowed 'General case' 0 CA--C 1.503 -0.834 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 -163.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 mm? 68.14 21.42 8.65 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 127.197 2.199 . . . . 0.0 114.346 178.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.258 1.529 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 173.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.419 ' H2 ' ' CD ' ' A' ' 1' ' ' GLU . 1.0 OUTLIER . . . . . 0 CA--C 1.491 -1.31 0 N-CA-C 103.468 -2.79 . . . . 0.0 103.468 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 174.42 176.66 0.15 Allowed 'General case' 0 N--CA 1.434 -1.257 1 N-CA-C 98.747 -4.538 . . . . 0.0 98.747 -170.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -128.31 81.65 2.04 Favored 'General case' 0 CA--C 1.505 -0.763 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 -171.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? 106.92 -48.26 0.0 OUTLIER 'General case' 0 C--N 1.368 1.389 0 C-N-CA 129.353 3.061 . . . . 0.0 107.096 -175.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.2 mttt 102.45 -157.08 0.0 OUTLIER 'General case' 0 C--N 1.363 1.181 1 C-N-CA 132.536 4.335 . . . . 0.0 105.981 -173.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.61 -179.18 5.28 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 127.338 2.255 . . . . 0.0 109.403 169.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -100.6 96.62 7.48 Favored 'General case' 0 N--CA 1.438 -1.059 0 N-CA-C 103.962 -2.607 . . . . 0.0 103.962 165.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -139.67 -115.12 0.14 Allowed 'General case' 0 C--N 1.359 0.999 0 N-CA-C 103.547 -2.76 . . . . 0.0 103.547 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.49 91.52 5.76 Favored 'General case' 0 C--N 1.373 1.624 0 C-N-CA 125.583 1.553 . . . . 0.0 110.066 178.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.5 t 165.2 -141.69 0.0 OUTLIER 'General case' 0 N--CA 1.439 -0.99 1 N-CA-C 98.389 -4.671 . . . . 0.0 98.389 -149.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.43 -31.36 63.79 Favored 'General case' 0 CA--C 1.487 -1.454 0 C-N-CA 129.673 3.189 . . . . 0.0 112.147 -163.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -86.11 -17.72 34.29 Favored 'General case' 0 CA--C 1.504 -0.817 0 C-N-CA 124.153 0.981 . . . . 0.0 110.497 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.63 -30.99 24.46 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 123.714 0.806 . . . . 0.0 110.734 168.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -89.88 -40.76 12.21 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 125.355 1.462 . . . . 0.0 111.851 -171.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -69.13 -22.86 63.93 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 126.407 1.883 . . . . 0.0 109.482 177.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.16 -0.24 35.16 Favored 'General case' 0 C--N 1.358 0.939 0 C-N-CA 125.678 1.591 . . . . 0.0 114.042 171.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.51 -43.96 9.37 Favored 'General case' 0 C--N 1.37 1.467 0 C-N-CA 124.529 1.132 . . . . 0.0 109.733 159.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -83.11 -21.11 33.75 Favored 'General case' 0 C--N 1.356 0.889 0 C-N-CA 126.499 1.92 . . . . 0.0 112.942 -168.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -82.07 -0.8 46.21 Favored 'General case' 0 C--N 1.362 1.126 0 O-C-N 120.037 -1.664 . . . . 0.0 111.829 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.55 -21.8 21.6 Favored 'General case' 0 C--N 1.363 1.154 0 C-N-CA 127.407 2.283 . . . . 0.0 112.18 161.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -90.7 -24.52 20.41 Favored 'General case' 0 C--N 1.375 1.712 0 C-N-CA 125.307 1.443 . . . . 0.0 110.088 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -69.4 -31.61 70.09 Favored 'General case' 0 C--N 1.366 1.319 0 C-N-CA 129.773 3.229 . . . . 0.0 112.667 175.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.65 -30.82 64.62 Favored 'General case' 0 C--N 1.36 1.057 0 CA-C-N 121.092 1.769 . . . . 0.0 114.529 -171.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.8 t -90.87 0.76 57.4 Favored 'General case' 0 C--N 1.358 0.958 0 C-N-CA 125.067 1.347 . . . . 0.0 111.61 170.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.81 -8.84 48.53 Favored 'General case' 0 C--N 1.369 1.448 0 C-N-CA 127.493 2.317 . . . . 0.0 109.153 172.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -84.71 4.8 30.99 Favored 'General case' 0 C--N 1.36 1.064 0 C-N-CA 127.288 2.235 . . . . 0.0 111.865 171.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.19 -10.59 41.16 Favored 'General case' 0 C--N 1.361 1.107 0 C-N-CA 126.431 1.893 . . . . 0.0 114.742 161.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -64.05 -24.28 67.65 Favored 'General case' 0 C--N 1.372 1.577 0 C-N-CA 128.128 2.571 . . . . 0.0 114.644 -162.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -88.9 -23.44 22.73 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 126.439 1.895 . . . . 0.0 113.931 175.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.23 -29.31 18.27 Favored 'General case' 0 C--N 1.362 1.137 0 O-C-N 120.616 -1.303 . . . . 0.0 109.334 177.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.84 28.87 1.44 Allowed 'General case' 0 C--N 1.36 1.052 0 C-N-CA 129.626 3.171 . . . . 0.0 111.777 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.9 tptt -105.88 -84.92 0.5 Allowed 'General case' 0 C--N 1.358 0.937 0 C-N-CA 126.856 2.063 . . . . 0.0 107.832 174.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -74.42 -17.25 60.82 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 126.597 1.959 . . . . 0.0 115.202 -166.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.91 -43.73 9.82 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 124.361 1.064 . . . . 0.0 112.655 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.5 t -103.79 -28.8 2.95 Favored 'Isoleucine or valine' 0 C--N 1.357 0.91 0 C-N-CA 123.79 0.836 . . . . 0.0 109.657 -158.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -127.28 -32.39 2.47 Favored 'General case' 0 C--N 1.357 0.899 0 O-C-N 121.636 -0.665 . . . . 0.0 110.674 -177.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . 0.295 1.5 mm? 91.1 -3.79 0.23 Allowed 'General case' 0 C--N 1.363 1.159 0 C-N-CA 127.398 2.279 . . . . 0.0 111.933 170.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.537 ' HA ' ' HZ1' ' A' ' 38' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.269 2.124 0 CA-C-N 121.321 1.873 . . . . 0.0 108.045 -167.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 . . . . . 0 N--CA 1.481 1.118 1 N-CA-C 99.818 -4.141 . . . . 0.0 99.818 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.97 166.93 10.24 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 125.712 1.605 . . . . 0.0 108.186 -176.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -159.2 132.42 7.13 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 101.865 -3.383 . . . . 0.0 101.865 174.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 48.1 tttp -171.23 99.36 0.2 Allowed 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 103.942 -2.614 . . . . 0.0 103.942 164.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.5 149.91 35.5 Favored 'General case' 0 CA--C 1.498 -1.047 1 N-CA-C 98.817 -4.512 . . . . 0.0 98.817 174.064 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.51 -29.02 17.22 Favored 'General case' 0 C--N 1.359 1.007 0 C-N-CA 126.057 1.743 . . . . 0.0 112.732 178.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.37 -63.44 1.13 Allowed 'General case' 0 C--N 1.363 1.156 0 C-N-CA 125.117 1.367 . . . . 0.0 107.834 -175.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . 0.278 11.3 tt0 104.39 130.18 0.01 OUTLIER 'General case' 0 C--N 1.362 1.11 0 C-N-CA 131.195 3.798 . . . . 0.0 107.667 172.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.23 49.32 0.91 Allowed 'General case' 0 C--N 1.363 1.162 0 O-C-N 120.269 -1.519 . . . . 0.0 108.897 -174.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.7 m -130.33 -146.23 0.3 Allowed 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 101.524 -3.51 . . . . 0.0 101.524 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -63.16 -18.55 63.59 Favored 'General case' 0 C--N 1.366 1.312 0 C-N-CA 127.83 2.452 . . . . 0.0 114.733 -173.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -86.76 -2.92 58.94 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 119.948 -1.72 . . . . 0.0 112.679 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.98 -39.25 4.27 Favored 'General case' 0 CA--C 1.499 -0.998 0 N-CA-C 106.649 -1.611 . . . . 0.0 106.649 159.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -74.49 -27.03 60.38 Favored 'General case' 0 C--N 1.363 1.155 0 C-N-CA 126.684 1.994 . . . . 0.0 115.199 -169.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -74.97 -28.18 60.46 Favored 'General case' 0 C--N 1.372 1.584 0 O-C-N 119.4 -2.062 . . . . 0.0 111.045 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.58 -6.6 58.83 Favored 'General case' 0 C--N 1.363 1.171 0 C-N-CA 126.613 1.965 . . . . 0.0 113.821 178.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.12 -30.41 16.73 Favored 'General case' 0 C--N 1.364 1.234 0 CA-C-O 122.531 1.158 . . . . 0.0 110.902 164.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.1 tttp -79.27 -20.46 48.02 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 125.492 1.517 . . . . 0.0 111.058 -163.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -90.15 -3.72 57.71 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 124.224 1.01 . . . . 0.0 111.582 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.13 -37.25 13.5 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 126.768 2.027 . . . . 0.0 112.013 168.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -82.18 -26.97 32.93 Favored 'General case' 0 C--N 1.371 1.539 0 C-N-CA 126.959 2.104 . . . . 0.0 111.557 178.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -63.77 -17.63 63.25 Favored 'General case' 0 C--N 1.378 1.84 0 C-N-CA 127.312 2.245 . . . . 0.0 114.799 173.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.55 -31.95 63.92 Favored 'General case' 0 C--N 1.364 1.2 0 C-N-CA 125.453 1.501 . . . . 0.0 113.072 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.57 -6.42 54.71 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 126.353 1.861 . . . . 0.0 112.293 173.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.512 ' HZ3' ' CD ' ' A' ' 29' ' ' GLU . 5.8 tmtm? -90.25 -28.1 19.05 Favored 'General case' 0 C--N 1.361 1.093 0 O-C-N 119.695 -1.878 . . . . 0.0 111.569 -172.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -14.76 62.47 Favored 'General case' 0 C--N 1.373 1.61 0 C-N-CA 127.009 2.124 . . . . 0.0 112.439 -174.097 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.91 3.4 14.63 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 130.691 3.596 . . . . 0.0 113.901 -179.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -90.54 -49.36 6.54 Favored 'General case' 0 C--N 1.361 1.106 0 C-N-CA 127.522 2.329 . . . . 0.0 111.099 168.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.512 ' CD ' ' HZ3' ' A' ' 25' ' ' LYS . 2.1 mp0 -71.39 -22.36 61.88 Favored 'General case' 0 C--N 1.366 1.322 0 C-N-CA 128.674 2.789 . . . . 0.0 110.051 173.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.64 17.6 0.29 Allowed 'General case' 0 C--N 1.361 1.095 0 C-N-CA 125.756 1.623 . . . . 0.0 114.911 173.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.4 3.54 53.52 Favored 'General case' 0 C--N 1.368 1.394 0 C-N-CA 125.57 1.548 . . . . 0.0 110.952 159.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -114.7 -93.52 0.48 Allowed 'General case' 0 C--N 1.356 0.857 0 C-N-CA 127.526 2.33 . . . . 0.0 110.542 175.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.4 mp0 -77.46 -14.73 59.62 Favored 'General case' 0 C--N 1.366 1.322 0 C-N-CA 126.179 1.791 . . . . 0.0 114.117 -155.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.75 -11.38 39.75 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 127.345 2.258 . . . . 0.0 112.462 176.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 77.2 t -111.99 -58.64 3.52 Favored 'Isoleucine or valine' 0 C--N 1.36 1.059 0 C-N-CA 125.67 1.588 . . . . 0.0 108.068 -173.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -121.88 -21.99 5.89 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 121.815 -0.553 . . . . 0.0 112.202 -164.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.9 mp 74.66 6.73 4.47 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 126.028 1.731 . . . . 0.0 115.394 165.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.2 ttpt . . . . . 0 C--O 1.258 1.545 0 CA-C-N 119.833 1.197 . . . . 0.0 109.007 -161.669 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . 0.298 1.4 mp0 . . . . . 0 CA--C 1.484 -1.561 0 CA-C-O 118.528 -0.749 . . . . 0.0 111.668 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.54 160.64 43.21 Favored 'General case' 0 CA--C 1.498 -1.027 0 N-CA-C 102.485 -3.154 . . . . 0.0 102.485 -173.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.278 73.7 t80 88.52 131.49 0.03 OUTLIER 'General case' 0 C--N 1.361 1.088 0 C-N-CA 128.187 2.595 . . . . 0.0 110.234 -173.293 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 43.4 mttm -165.89 73.06 0.17 Allowed 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 103.191 -2.892 . . . . 0.0 103.191 169.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . 0.309 29.6 mtmm 92.71 133.14 0.03 OUTLIER 'General case' 0 C--N 1.354 0.798 0 C-N-CA 128.192 2.597 . . . . 0.0 113.371 171.029 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.03 167.98 11.99 Favored 'General case' 0 C--N 1.367 1.329 0 C-N-CA 125.852 1.661 . . . . 0.0 108.722 173.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.5 tttt -99.75 2.44 44.18 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.767 -161.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -165.65 -73.94 0.03 OUTLIER 'General case' 0 C--N 1.359 1.014 0 N-CA-C 105.096 -2.187 . . . . 0.0 105.096 168.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.42 -78.73 0.51 Allowed 'General case' 0 C--N 1.358 0.958 0 C-N-CA 125.097 1.359 . . . . 0.0 111.43 -169.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.2 m -157.12 -158.89 0.8 Allowed 'General case' 0 CA--C 1.496 -1.096 0 N-CA-C 101.918 -3.364 . . . . 0.0 101.918 -164.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -70.09 -15.34 62.97 Favored 'General case' 0 C--N 1.363 1.178 0 C-N-CA 125.19 1.396 . . . . 0.0 113.539 -172.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -69.75 -22.36 63.37 Favored 'General case' 0 C--N 1.359 1.019 0 C-N-CA 126.978 2.111 . . . . 0.0 114.472 164.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.23 -14.01 21.66 Favored 'General case' 0 C--N 1.365 1.272 0 O-C-N 119.307 -2.12 . . . . 0.0 109.415 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 -90.68 -35.31 15.01 Favored 'General case' 0 N--CA 1.433 -1.277 0 C-N-CA 127.782 2.433 . . . . 0.0 111.667 173.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -81.51 -43.46 18.76 Favored 'General case' 0 C--N 1.366 1.321 0 C-N-CA 126.657 1.983 . . . . 0.0 112.636 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.05 -5.56 49.31 Favored 'General case' 0 C--N 1.366 1.283 0 O-C-N 120.314 -1.492 . . . . 0.0 112.541 -177.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.58 -20.87 22.11 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 128.932 2.893 . . . . 0.0 111.161 166.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -90.89 -26.66 19.23 Favored 'General case' 0 C--N 1.361 1.108 0 C-N-CA 126.231 1.813 . . . . 0.0 111.076 -176.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -90.3 -2.35 58.0 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 120.571 -1.331 . . . . 0.0 110.193 -176.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.23 -31.2 17.1 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 126.56 1.944 . . . . 0.0 111.428 171.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -90.34 -13.58 34.85 Favored 'General case' 0 C--N 1.373 1.607 0 C-N-CA 125.712 1.605 . . . . 0.0 111.278 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.4 ' HA ' ' HB2' ' A' ' 25' ' ' LYS . 17.8 m-20 -82.31 -12.45 57.99 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 126.459 1.904 . . . . 0.0 111.604 -177.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.57 -35.81 63.04 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 124.595 1.158 . . . . 0.0 113.609 -177.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.5 p -89.99 -8.0 52.66 Favored 'General case' 0 C--N 1.359 0.993 0 C-N-CA 126.248 1.819 . . . . 0.0 110.791 175.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.4 ' HB2' ' HA ' ' A' ' 22' ' ' ASN . 1.5 mptm? -90.58 -11.64 39.39 Favored 'General case' 0 C--N 1.349 0.555 0 C-N-CA 127.065 2.146 . . . . 0.0 114.047 174.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -90.83 -19.5 23.36 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 124.115 0.966 . . . . 0.0 110.978 156.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.27 -31.79 16.82 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 124.972 1.309 . . . . 0.0 112.172 -168.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -66.1 -16.36 63.87 Favored 'General case' 0 C--N 1.373 1.595 0 C-N-CA 128.397 2.679 . . . . 0.0 114.579 174.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -85.71 -0.25 54.68 Favored 'General case' 0 C--N 1.372 1.558 0 C-N-CA 125.22 1.408 . . . . 0.0 114.259 -167.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.01 -47.37 16.37 Favored 'General case' 0 C--N 1.363 1.153 0 O-C-N 120.892 -1.13 . . . . 0.0 111.445 169.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.83 -60.04 2.04 Favored 'General case' 0 C--N 1.358 0.959 0 C-N-CA 126.407 1.883 . . . . 0.0 110.453 177.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.4 mtmt 78.79 84.54 0.06 Allowed 'General case' 0 C--N 1.361 1.074 0 C-N-CA 128.647 2.779 . . . . 0.0 110.428 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -97.11 -14.0 21.81 Favored 'General case' 0 C--N 1.359 0.998 0 CA-C-O 121.704 0.764 . . . . 0.0 111.603 -178.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.79 -60.74 1.79 Allowed 'General case' 0 C--N 1.358 0.965 0 C-N-CA 128.419 2.688 . . . . 0.0 111.473 175.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.7 p -100.67 16.68 4.0 Favored 'Isoleucine or valine' 0 C--N 1.36 1.04 0 C-N-CA 124.875 1.27 . . . . 0.0 110.443 -162.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -161.19 159.16 28.52 Favored 'General case' 0 N--CA 1.438 -1.043 1 N-CA-C 97.968 -4.827 . . . . 0.0 97.968 177.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -154.47 28.68 0.44 Allowed 'General case' 0 C--N 1.358 0.941 0 N-CA-C 104.18 -2.526 . . . . 0.0 104.18 173.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.259 1.559 0 O-C-N 119.499 -2.0 . . . . 0.0 106.88 -177.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 . . . . . 0 N--CA 1.485 1.291 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 74.57 155.11 0.16 Allowed 'General case' 0 C--N 1.365 1.263 0 C-N-CA 129.174 2.99 . . . . 0.0 113.353 -174.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -155.02 -55.82 0.1 Allowed 'General case' 0 C--N 1.353 0.737 0 O-C-N 121.218 -0.926 . . . . 0.0 109.451 179.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -154.18 103.85 2.57 Favored 'General case' 0 CA--C 1.5 -0.947 0 N-CA-C 102.917 -2.994 . . . . 0.0 102.917 -174.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -147.53 157.77 43.71 Favored 'General case' 0 CA--C 1.493 -1.242 0 N-CA-C 100.493 -3.891 . . . . 0.0 100.493 -168.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.67 148.77 22.4 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 125.727 1.611 . . . . 0.0 110.31 175.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -95.3 80.94 3.57 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 126.036 1.735 . . . . 0.0 110.328 -169.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -138.08 -20.83 1.1 Allowed 'General case' 0 C--N 1.358 0.974 0 C-N-CA 124.924 1.29 . . . . 0.0 110.988 -171.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -97.52 -67.89 0.83 Allowed 'General case' 0 C--N 1.369 1.44 0 CA-C-N 120.685 1.584 . . . . 0.0 110.868 -171.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.5 m -162.8 -136.69 0.03 OUTLIER 'General case' 0 CA--C 1.501 -0.923 0 N-CA-C 104.588 -2.375 . . . . 0.0 104.588 -175.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -88.83 -13.33 39.57 Favored 'General case' 0 C--N 1.368 1.406 0 C-N-CA 123.78 0.832 . . . . 0.0 111.391 -172.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.7 -4.64 56.78 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 130.865 3.666 . . . . 0.0 110.745 172.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.33 -14.49 13.3 Favored 'General case' 0 N--CA 1.437 -1.12 0 C-N-CA 126.844 2.058 . . . . 0.0 107.766 176.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.61 -43.81 9.93 Favored 'General case' 0 C--N 1.365 1.254 0 C-N-CA 128.609 2.764 . . . . 0.0 107.649 177.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -62.34 -10.57 11.58 Favored 'General case' 0 C--N 1.367 1.361 0 C-N-CA 129.114 2.966 . . . . 0.0 116.23 -178.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.51 -19.3 31.39 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 119.979 -1.7 . . . . 0.0 114.569 165.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.9 -38.89 12.03 Favored 'General case' 0 C--N 1.363 1.182 0 C-N-CA 125.696 1.599 . . . . 0.0 111.88 165.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.1 tttp -87.35 -9.0 56.0 Favored 'General case' 0 C--N 1.374 1.658 0 C-N-CA 128.409 2.683 . . . . 0.0 112.236 -159.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.28 14.14 4.64 Favored 'General case' 0 C--N 1.365 1.244 0 O-C-N 120.29 -1.506 . . . . 0.0 111.737 175.554 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.56 -44.93 9.24 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 129.636 3.174 . . . . 0.0 111.671 167.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.85 -13.05 34.48 Favored 'General case' 0 C--N 1.381 1.964 0 C-N-CA 125.727 1.611 . . . . 0.0 111.616 -173.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.8 m-20 -62.37 -25.59 68.0 Favored 'General case' 0 C--N 1.372 1.561 0 C-N-CA 128.153 2.581 . . . . 0.0 112.257 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.21 -31.77 70.58 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 128.405 2.682 . . . . 0.0 114.489 174.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.88 -16.71 27.72 Favored 'General case' 0 C--N 1.354 0.8 0 C-N-CA 125.923 1.689 . . . . 0.0 113.062 171.055 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -90.28 -14.44 33.25 Favored 'General case' 0 C--N 1.351 0.647 0 C-N-CA 124.115 0.966 . . . . 0.0 113.126 177.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -85.3 -28.04 25.55 Favored 'General case' 0 C--N 1.369 1.424 0 C-N-CA 125.811 1.645 . . . . 0.0 109.959 167.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.01 2.43 30.99 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 127.461 2.305 . . . . 0.0 111.342 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.35 -54.96 5.83 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 128.879 2.872 . . . . 0.0 111.263 177.211 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -89.85 -24.59 21.36 Favored 'General case' 0 C--N 1.363 1.195 0 C-N-CA 125.516 1.527 . . . . 0.0 111.196 177.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.64 -24.78 33.64 Favored 'General case' 0 C--N 1.362 1.151 0 O-C-N 119.964 -1.71 . . . . 0.0 114.026 -177.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.19 1.99 56.69 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 120.304 -1.497 . . . . 0.0 113.411 169.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -69.43 -48.97 59.29 Favored 'General case' 0 C--N 1.374 1.664 0 N-CA-C 115.831 1.789 . . . . 0.0 115.831 -164.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -90.88 -16.6 27.91 Favored 'General case' 0 C--N 1.368 1.38 0 C-N-CA 125.137 1.375 . . . . 0.0 109.913 174.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.32 -45.91 8.73 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 126.956 2.102 . . . . 0.0 111.351 -162.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.273 2.8 t 67.17 18.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.367 1.337 0 C-N-CA 128.343 2.657 . . . . 0.0 113.482 173.464 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.438 ' ND2' ' H ' ' A' ' 37' ' ' LEU . 0.6 OUTLIER -160.44 -69.43 0.07 Allowed 'General case' 0 C--N 1.356 0.87 0 O-C-N 120.114 -1.616 . . . . 0.0 107.306 -171.497 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.438 ' H ' ' ND2' ' A' ' 36' ' ' ASN . 0.3 OUTLIER 71.01 39.15 1.02 Allowed 'General case' 0 C--N 1.362 1.149 0 C-N-CA 129.633 3.173 . . . . 0.0 112.996 -176.856 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt . . . . . 0 C--O 1.265 1.886 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 175.958 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 . . . . . 0 CA--C 1.496 -1.101 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.97 -22.22 45.97 Favored 'General case' 0 C--N 1.364 1.216 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -160.38 167.85 26.48 Favored 'General case' 0 CA--C 1.498 -1.035 1 N-CA-C 99.934 -4.099 . . . . 0.0 99.934 175.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.312 1.5 mmmt 82.68 13.01 0.49 Allowed 'General case' 0 C--N 1.365 1.269 0 C-N-CA 128.605 2.762 . . . . 0.0 113.437 -179.257 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . 0.29 30.5 mmtm 79.25 -83.12 0.02 OUTLIER 'General case' 0 C--N 1.364 1.206 0 C-N-CA 129.099 2.959 . . . . 0.0 111.89 172.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.85 -102.46 0.11 Allowed 'General case' 0 C--N 1.356 0.87 0 C-N-CA 124.628 1.171 . . . . 0.0 109.806 176.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -100.61 170.51 8.32 Favored 'General case' 0 C--N 1.358 0.96 0 N-CA-C 105.595 -2.002 . . . . 0.0 105.595 173.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -67.37 -76.76 0.08 Allowed 'General case' 0 C--N 1.351 0.663 0 C-N-CA 126.584 1.954 . . . . 0.0 114.851 -168.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.91 -27.09 13.18 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 123.894 0.878 . . . . 0.0 109.587 169.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.285 20.2 m 75.43 26.14 1.18 Allowed 'General case' 0 C--N 1.367 1.36 0 C-N-CA 129.218 3.007 . . . . 0.0 115.425 -174.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -84.66 -33.77 23.16 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 125.903 1.681 . . . . 0.0 111.498 -175.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.7 -9.57 59.66 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 128.244 2.618 . . . . 0.0 111.346 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.35 -21.45 18.97 Favored 'General case' 0 C--N 1.356 0.877 0 C-N-CA 125.407 1.483 . . . . 0.0 110.039 179.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -91.81 -45.96 8.12 Favored 'General case' 0 C--N 1.364 1.217 0 C-N-CA 126.715 2.006 . . . . 0.0 109.859 176.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -73.67 -20.95 60.41 Favored 'General case' 0 C--N 1.364 1.204 0 C-N-CA 126.28 1.832 . . . . 0.0 112.209 -170.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.93 -24.13 66.05 Favored 'General case' 0 C--N 1.362 1.115 0 C-N-CA 125.426 1.49 . . . . 0.0 114.688 166.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.66 -19.56 26.04 Favored 'General case' 0 C--N 1.372 1.558 0 CA-C-N 120.274 1.397 . . . . 0.0 113.455 178.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -88.82 -24.35 22.6 Favored 'General case' 0 C--N 1.361 1.075 0 O-C-N 121.001 -1.062 . . . . 0.0 111.262 -173.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.27 12.4 2.94 Favored 'General case' 0 C--N 1.36 1.037 0 C-N-CA 125.841 1.657 . . . . 0.0 114.605 -172.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.58 -30.26 17.32 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 128.695 2.798 . . . . 0.0 111.339 166.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -90.67 -33.98 15.6 Favored 'General case' 0 C--N 1.368 1.411 0 C-N-CA 126.683 1.993 . . . . 0.0 108.681 175.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -73.38 -5.79 42.06 Favored 'General case' 0 C--N 1.371 1.521 0 C-N-CA 125.024 1.33 . . . . 0.0 113.83 -177.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.07 -29.93 58.15 Favored 'General case' 0 C--N 1.355 0.819 0 O-C-N 120.762 -1.211 . . . . 0.0 112.671 178.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.0 t -91.62 -26.44 18.69 Favored 'General case' 0 C--N 1.365 1.265 0 C-N-CA 124.641 1.176 . . . . 0.0 110.878 165.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -89.15 23.45 2.44 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 125.722 1.609 . . . . 0.0 113.186 -177.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.93 -8.36 59.19 Favored 'General case' 0 C--N 1.36 1.023 0 C-N-CA 127.147 2.179 . . . . 0.0 111.526 175.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.81 -24.92 67.7 Favored 'General case' 0 C--N 1.368 1.383 0 C-N-CA 127.922 2.489 . . . . 0.0 114.332 166.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -68.83 -10.58 57.65 Favored 'General case' 0 C--N 1.379 1.859 0 C-N-CA 127.034 2.134 . . . . 0.0 115.056 -176.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -91.54 -47.58 7.33 Favored 'General case' 0 C--N 1.361 1.085 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 170.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.22 -30.49 17.53 Favored 'General case' 0 C--N 1.36 1.022 0 O-C-N 120.704 -1.247 . . . . 0.0 112.165 -172.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.67 -44.78 9.28 Favored 'General case' 0 C--N 1.366 1.325 0 C-N-CA 124.504 1.122 . . . . 0.0 111.325 171.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.278 13.7 mtpt 76.76 61.69 0.04 OUTLIER 'General case' 0 C--N 1.364 1.229 0 C-N-CA 126.089 1.756 . . . . 0.0 113.517 174.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -73.01 -30.2 63.59 Favored 'General case' 0 C--N 1.36 1.033 0 C-N-CA 125.08 1.352 . . . . 0.0 113.517 -159.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.56 -21.18 23.01 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 125.945 1.698 . . . . 0.0 111.804 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 44.3 t -99.67 -26.76 3.64 Favored 'Isoleucine or valine' 0 C--N 1.363 1.157 0 O-C-N 120.933 -1.105 . . . . 0.0 109.725 -169.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -87.3 -77.13 0.34 Allowed 'General case' 0 C--N 1.359 0.991 0 C-N-CA 127.323 2.249 . . . . 0.0 108.677 -176.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 105.95 -10.69 0.01 OUTLIER 'General case' 0 C--N 1.367 1.332 0 C-N-CA 128.211 2.605 . . . . 0.0 110.549 175.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.275 2.4 0 C-N-CA 124.055 0.942 . . . . 0.0 112.698 -173.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 . . . . . 0 CA--C 1.495 -1.149 0 N-CA-C 103.769 -2.678 . . . . 0.0 103.769 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.02 74.29 0.71 Allowed 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 105.168 -2.16 . . . . 0.0 105.168 177.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.269 11.2 t80 92.0 -102.77 0.0 OUTLIER 'General case' 0 C--N 1.364 1.199 0 C-N-CA 128.644 2.777 . . . . 0.0 109.095 176.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.263 74.0 mmtt 76.06 -90.1 0.02 OUTLIER 'General case' 0 C--N 1.36 1.054 0 C-N-CA 128.958 2.903 . . . . 0.0 112.825 -178.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -141.89 51.81 1.51 Allowed 'General case' 0 C--N 1.358 0.949 0 N-CA-C 105.755 -1.942 . . . . 0.0 105.755 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.86 107.58 19.19 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 126.463 1.905 . . . . 0.0 109.785 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.96 -7.18 23.59 Favored 'General case' 0 C--N 1.36 1.063 0 C-N-CA 126.613 1.965 . . . . 0.0 113.611 -168.329 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.34 -168.59 0.2 Allowed 'General case' 0 CA--C 1.5 -0.969 1 N-CA-C 96.649 -5.315 . . . . 0.0 96.649 -158.142 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.49 -165.91 1.26 Allowed 'General case' 0 C--N 1.354 0.794 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 166.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.9 m -96.23 40.74 1.12 Allowed 'General case' 0 CA--C 1.512 -0.481 0 C-N-CA 125.406 1.483 . . . . 0.0 111.818 -168.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -88.75 -32.71 17.78 Favored 'General case' 0 C--N 1.362 1.152 0 C-N-CA 130.532 3.533 . . . . 0.0 109.725 177.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -92.57 7.46 43.19 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 127.763 2.425 . . . . 0.0 109.373 -174.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.47 -9.36 10.87 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 127.009 2.123 . . . . 0.0 108.527 169.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -90.84 -39.42 12.35 Favored 'General case' 0 C--N 1.371 1.514 0 CA-C-N 119.18 0.9 . . . . 0.0 109.452 173.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.4 tm0? -76.03 -44.73 37.87 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 125.32 1.448 . . . . 0.0 111.433 -175.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.97 4.84 31.79 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 125.487 1.515 . . . . 0.0 112.247 179.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.27 -22.37 20.61 Favored 'General case' 0 C--N 1.358 0.959 0 C-N-CA 127.15 2.18 . . . . 0.0 111.98 159.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -88.16 -36.05 17.06 Favored 'General case' 0 C--N 1.376 1.741 0 C-N-CA 124.811 1.245 . . . . 0.0 110.605 -164.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -88.96 26.3 1.59 Allowed 'General case' 0 C--N 1.362 1.11 0 C-N-CA 127.661 2.384 . . . . 0.0 111.414 -171.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.46 -52.66 4.8 Favored 'General case' 0 N--CA 1.439 -0.997 0 C-N-CA 128.399 2.679 . . . . 0.0 109.144 157.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -90.53 -34.37 15.56 Favored 'General case' 0 C--N 1.364 1.2 0 C-N-CA 126.693 1.997 . . . . 0.0 110.251 -168.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -70.73 -21.64 62.52 Favored 'General case' 0 C--N 1.359 0.993 0 C-N-CA 129.914 3.286 . . . . 0.0 111.63 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.36 -24.88 50.63 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 125.975 1.71 . . . . 0.0 113.414 -177.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.4 m -90.9 -22.68 20.78 Favored 'General case' 0 C--N 1.36 1.023 0 C-N-CA 125.905 1.682 . . . . 0.0 111.518 170.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.446 ' HZ1' ' CD ' ' A' ' 28' ' ' GLU . 24.2 tptt -79.31 -29.8 42.55 Favored 'General case' 0 C--N 1.368 1.401 0 C-N-CA 126.175 1.79 . . . . 0.0 111.003 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -59.72 -39.0 83.21 Favored 'General case' 0 C--N 1.369 1.419 0 C-N-CA 129.006 2.922 . . . . 0.0 113.635 167.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.7 7.75 37.94 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 125.556 1.542 . . . . 0.0 114.056 179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.446 ' CD ' ' HZ1' ' A' ' 25' ' ' LYS . 67.0 tt0 -88.92 -22.22 23.21 Favored 'General case' 0 C--N 1.367 1.336 0 C-N-CA 124.024 0.93 . . . . 0.0 113.417 -178.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -90.34 -35.63 15.12 Favored 'General case' 0 C--N 1.365 1.239 0 C-N-CA 126.544 1.937 . . . . 0.0 110.585 -179.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.8 -13.12 61.6 Favored 'General case' 0 C--N 1.365 1.27 0 C-N-CA 126.956 2.102 . . . . 0.0 113.203 178.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.32 0.54 36.63 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 127.694 2.398 . . . . 0.0 112.685 171.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -136.42 -38.79 0.67 Allowed 'General case' 0 C--N 1.36 1.053 0 C-N-CA 125.576 1.551 . . . . 0.0 112.034 -175.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -57.09 -40.12 76.33 Favored 'General case' 0 C--N 1.387 2.203 0 C-N-CA 126.465 1.906 . . . . 0.0 114.438 -173.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.1 -84.91 0.24 Allowed 'General case' 0 C--N 1.353 0.757 0 C-N-CA 126.863 2.065 . . . . 0.0 110.254 170.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -170.01 -40.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.361 1.079 0 C-N-CA 127.575 2.35 . . . . 0.0 107.474 177.086 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -137.6 -87.32 0.28 Allowed 'General case' 0 C--N 1.358 0.946 0 N-CA-C 105.51 -2.033 . . . . 0.0 105.51 -169.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 mt 64.49 29.38 13.31 Favored 'General case' 0 C--N 1.365 1.253 0 C-N-CA 126.302 1.841 . . . . 0.0 113.403 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.7 tttt . . . . . 0 C--O 1.261 1.689 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 -166.173 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 . . . . . 0 N--CA 1.485 1.307 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.13 140.99 48.99 Favored 'General case' 0 CA--C 1.497 -1.089 0 N-CA-C 102.089 -3.3 . . . . 0.0 102.089 167.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -147.8 -96.55 0.08 Allowed 'General case' 0 N--CA 1.441 -0.891 1 N-CA-C 99.811 -4.144 . . . . 0.0 99.811 -173.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -166.73 143.58 4.77 Favored 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 102.68 -3.081 . . . . 0.0 102.68 175.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.26 149.8 29.09 Favored 'General case' 0 C--N 1.358 0.935 1 N-CA-C 97.03 -5.174 . . . . 0.0 97.03 165.409 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.54 -143.23 0.19 Allowed 'General case' 0 C--N 1.367 1.331 0 C-N-CA 125.481 1.513 . . . . 0.0 111.814 171.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -100.91 118.5 37.07 Favored 'General case' 0 C--N 1.36 1.032 0 C-N-CA 128.446 2.699 . . . . 0.0 105.095 168.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -145.33 -64.12 0.33 Allowed 'General case' 0 C--N 1.356 0.862 0 N-CA-C 105.67 -1.974 . . . . 0.0 105.67 -165.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.1 -145.11 0.33 Allowed 'General case' 0 C--N 1.365 1.25 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 171.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.7 19.22 20.8 Favored 'General case' 0 CA--C 1.493 -1.234 0 CA-C-N 120.022 1.283 . . . . 0.0 113.03 -173.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -83.58 -6.01 59.33 Favored 'General case' 0 C--N 1.349 0.582 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -170.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -99.59 -30.02 12.37 Favored 'General case' 0 C--N 1.363 1.183 0 CA-C-O 123.47 1.605 . . . . 0.0 108.442 173.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.57 -27.44 25.52 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 128.417 2.687 . . . . 0.0 111.435 -169.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.26 -14.03 34.14 Favored 'General case' 0 C--N 1.365 1.268 0 C-N-CA 125.483 1.513 . . . . 0.0 111.511 172.106 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.23 -36.71 14.59 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 126.949 2.1 . . . . 0.0 111.189 -179.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.56 -20.24 65.97 Favored 'General case' 0 C--N 1.366 1.294 0 C-N-CA 125.079 1.352 . . . . 0.0 114.08 -176.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.44 -16.4 34.95 Favored 'General case' 0 C--N 1.361 1.075 0 C-N-CA 126.011 1.724 . . . . 0.0 111.519 171.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -81.95 -31.46 31.24 Favored 'General case' 0 C--N 1.369 1.448 0 O-C-N 120.69 -1.257 . . . . 0.0 109.329 179.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -85.78 2.48 45.45 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 125.01 1.324 . . . . 0.0 112.074 175.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.54 -37.54 13.79 Favored 'General case' 0 C--N 1.367 1.348 0 C-N-CA 126.283 1.833 . . . . 0.0 110.762 163.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -86.44 -45.31 11.27 Favored 'General case' 0 C--N 1.376 1.732 0 C-N-CA 125.064 1.346 . . . . 0.0 111.357 -174.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -64.86 -10.3 27.41 Favored 'General case' 0 C--N 1.371 1.53 0 C-N-CA 130.416 3.486 . . . . 0.0 112.728 177.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.66 -30.79 59.53 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 126.515 1.926 . . . . 0.0 112.369 178.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.7 t -91.14 -21.62 21.08 Favored 'General case' 0 C--N 1.362 1.119 0 C-N-CA 125.596 1.558 . . . . 0.0 112.974 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -69.01 -22.53 64.07 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 126.336 1.855 . . . . 0.0 114.608 -168.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -83.17 -22.14 33.33 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 127.254 2.221 . . . . 0.0 112.401 172.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.52 -39.94 12.28 Favored 'General case' 0 C--N 1.364 1.236 0 O-C-N 119.569 -1.957 . . . . 0.0 110.938 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -75.22 -1.94 25.67 Favored 'General case' 0 C--N 1.369 1.446 0 C-N-CA 126.603 1.961 . . . . 0.0 113.966 175.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.85 -33.61 24.81 Favored 'General case' 0 C--N 1.363 1.175 0 C-N-CA 127.552 2.341 . . . . 0.0 110.817 177.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.54 -16.86 50.4 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 125.44 1.496 . . . . 0.0 111.295 -177.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.08 -17.44 52.65 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 127.496 2.318 . . . . 0.0 111.702 170.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -81.46 -47.84 12.64 Favored 'General case' 0 C--N 1.361 1.101 0 O-C-N 121.247 -0.908 . . . . 0.0 112.217 177.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -100.46 -6.54 25.42 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 -171.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.94 -50.29 5.79 Favored 'General case' 0 C--N 1.361 1.08 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 172.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.1 t -96.59 -12.0 8.52 Favored 'Isoleucine or valine' 0 C--N 1.365 1.241 0 C-N-CA 126.921 2.089 . . . . 0.0 110.991 -155.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -157.11 169.56 24.51 Favored 'General case' 0 N--CA 1.434 -1.24 1 N-CA-C 96.892 -5.225 . . . . 0.0 96.892 175.652 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 mp -152.13 59.26 0.84 Allowed 'General case' 0 CA--C 1.499 -0.989 0 N-CA-C 102.089 -3.3 . . . . 0.0 102.089 172.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.1 mttm . . . . . 0 C--O 1.264 1.827 0 CA-C-O 117.489 -1.244 . . . . 0.0 110.349 177.803 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.405 ' H2 ' ' CD ' ' A' ' 1' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.482 1.153 0 CA-C-O 120.795 0.331 . . . . 0.0 111.105 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -171.71 155.61 4.03 Favored 'General case' 0 N--CA 1.438 -1.059 1 N-CA-C 99.839 -4.134 . . . . 0.0 99.839 165.028 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.279 35.3 t80 74.38 9.74 4.36 Favored 'General case' 0 C--N 1.365 1.27 0 C-N-CA 128.566 2.746 . . . . 0.0 114.048 171.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -97.73 137.37 36.71 Favored 'General case' 0 CA--C 1.496 -1.129 0 O-C-N 118.811 -2.431 . . . . 0.0 107.322 -170.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -113.23 -1.27 14.36 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 125.009 1.324 . . . . 0.0 107.892 -170.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.09 -57.13 2.91 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 126.988 2.115 . . . . 0.0 111.869 178.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.5 tttt -100.75 152.8 20.06 Favored 'General case' 0 C--N 1.361 1.104 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -161.01 -174.93 4.62 Favored 'General case' 0 CA--C 1.487 -1.46 0 N-CA-C 100.538 -3.875 . . . . 0.0 100.538 -170.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.8 -48.47 7.81 Favored 'General case' 0 C--N 1.359 1.017 0 C-N-CA 125.295 1.438 . . . . 0.0 112.316 -162.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.7 m 173.16 -161.15 0.02 OUTLIER 'General case' 0 CA--C 1.488 -1.412 1 N-CA-C 99.455 -4.276 . . . . 0.0 99.455 -172.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -64.02 -20.83 66.2 Favored 'General case' 0 C--N 1.372 1.558 0 C-N-CA 128.283 2.633 . . . . 0.0 113.796 -179.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -76.53 -17.23 59.36 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 128.264 2.625 . . . . 0.0 111.454 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.18 -16.74 15.63 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 124.841 1.256 . . . . 0.0 108.687 174.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.83 -33.42 19.85 Favored 'General case' 0 C--N 1.369 1.442 0 C-N-CA 126.319 1.847 . . . . 0.0 110.982 179.496 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -71.57 -41.01 69.57 Favored 'General case' 0 C--N 1.366 1.292 0 C-N-CA 128.121 2.568 . . . . 0.0 110.407 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.29 -15.01 60.98 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 128.404 2.682 . . . . 0.0 111.966 -179.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.53 -20.72 22.34 Favored 'General case' 0 C--N 1.365 1.281 0 C-N-CA 125.724 1.61 . . . . 0.0 112.42 175.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -88.85 -33.34 17.4 Favored 'General case' 0 C--N 1.368 1.401 0 O-C-N 120.772 -1.205 . . . . 0.0 111.368 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -85.6 2.3 45.63 Favored 'General case' 0 C--N 1.362 1.148 0 C-N-CA 124.333 1.053 . . . . 0.0 111.468 175.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.62 -37.75 13.59 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 126.829 2.052 . . . . 0.0 111.062 173.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -89.96 -21.29 22.51 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 124.25 1.02 . . . . 0.0 111.79 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -61.4 -36.31 79.93 Favored 'General case' 0 C--N 1.366 1.302 0 C-N-CA 125.14 1.376 . . . . 0.0 113.949 176.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.62 -18.82 62.19 Favored 'General case' 0 C--N 1.369 1.421 0 C-N-CA 125.819 1.648 . . . . 0.0 115.002 178.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.4 m -90.99 -17.8 25.69 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 125.451 1.501 . . . . 0.0 111.113 170.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -89.52 -32.08 17.34 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 126.707 2.003 . . . . 0.0 110.242 -173.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -85.83 -9.53 56.87 Favored 'General case' 0 C--N 1.365 1.278 0 O-C-N 120.812 -1.18 . . . . 0.0 111.591 170.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.23 -9.7 47.08 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 124.871 1.268 . . . . 0.0 111.384 177.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -55.54 -46.88 77.05 Favored 'General case' 0 C--N 1.375 1.684 0 C-N-CA 129.15 2.98 . . . . 0.0 115.904 -172.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -87.99 -11.65 46.77 Favored 'General case' 0 C--N 1.361 1.104 0 C-N-CA 126.819 2.047 . . . . 0.0 112.571 -173.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.57 -35.85 20.8 Favored 'General case' 0 C--N 1.361 1.083 0 C-N-CA 128.382 2.673 . . . . 0.0 108.422 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.61 34.53 0.71 Allowed 'General case' 0 C--N 1.366 1.326 0 C-N-CA 125.596 1.559 . . . . 0.0 112.675 172.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -132.66 -70.71 0.54 Allowed 'General case' 0 N--CA 1.439 -1.005 0 N-CA-C 102.874 -3.01 . . . . 0.0 102.874 162.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -66.56 -29.08 69.08 Favored 'General case' 0 C--N 1.362 1.133 0 N-CA-C 118.151 2.649 . . . . 0.0 118.151 -169.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.91 -24.11 19.4 Favored 'General case' 0 C--N 1.361 1.103 0 O-C-N 120.787 -1.196 . . . . 0.0 112.546 176.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.3 t -101.08 -23.33 4.41 Favored 'Isoleucine or valine' 0 C--N 1.358 0.971 0 O-C-N 121.206 -0.934 . . . . 0.0 109.161 -164.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -160.29 -156.51 0.49 Allowed 'General case' 0 CA--C 1.493 -1.235 0 N-CA-C 100.231 -3.988 . . . . 0.0 100.231 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -172.31 49.75 0.02 OUTLIER 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 101.029 -3.693 . . . . 0.0 101.029 169.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.451 ' HZ2' ' HB3' ' A' ' 38' ' ' LYS . 10.1 mtpm? . . . . . 0 C--O 1.255 1.358 0 O-C-N 120.961 -1.087 . . . . 0.0 109.049 -174.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.453 ' H2 ' ' CD ' ' A' ' 1' ' ' GLU . 17.8 mp0 . . . . . 0 CA--C 1.492 -1.259 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.77 43.6 1.06 Allowed 'General case' 0 C--N 1.358 0.971 0 O-C-N 120.614 -1.304 . . . . 0.0 110.367 176.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -125.83 -127.07 0.24 Allowed 'General case' 0 CA--C 1.5 -0.97 0 N-CA-C 105.508 -2.034 . . . . 0.0 105.508 -173.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -89.42 -21.76 22.87 Favored 'General case' 0 C--N 1.365 1.264 0 C-N-CA 124.553 1.141 . . . . 0.0 109.413 177.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . 0.294 6.6 mtmt 89.6 -101.47 0.01 OUTLIER 'General case' 0 C--N 1.362 1.124 0 C-N-CA 126.764 2.026 . . . . 0.0 109.374 170.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.67 167.65 12.04 Favored 'General case' 0 C--N 1.36 1.027 0 C-N-CA 125.075 1.35 . . . . 0.0 109.133 172.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -99.69 106.27 18.18 Favored 'General case' 0 C--N 1.357 0.895 0 N-CA-C 105.853 -1.906 . . . . 0.0 105.853 176.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -78.24 94.79 4.84 Favored 'General case' 0 C--N 1.367 1.344 0 C-N-CA 127.03 2.132 . . . . 0.0 107.949 178.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.11 -40.44 7.59 Favored 'General case' 0 CA--C 1.495 -1.157 0 C-N-CA 126.17 1.788 . . . . 0.0 109.218 -160.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 65.1 m -172.19 -171.99 0.9 Allowed 'General case' 0 CA--C 1.481 -1.705 0 N-CA-C 102.173 -3.269 . . . . 0.0 102.173 177.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -65.97 -22.67 66.49 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 127.989 2.515 . . . . 0.0 113.486 -165.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -62.77 -30.62 71.59 Favored 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 127.543 2.337 . . . . 0.0 114.967 170.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -92.59 -40.77 10.59 Favored 'General case' 0 C--N 1.361 1.102 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -81.03 -21.19 40.35 Favored 'General case' 0 C--N 1.361 1.07 0 C-N-CA 125.864 1.666 . . . . 0.0 113.164 -174.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -82.36 -40.11 21.82 Favored 'General case' 0 C--N 1.365 1.259 0 C-N-CA 126.751 2.021 . . . . 0.0 112.458 170.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.4 -34.84 73.01 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 123.894 0.878 . . . . 0.0 112.831 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.6 -14.76 61.69 Favored 'General case' 0 C--N 1.363 1.192 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 173.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -79.93 -28.6 39.69 Favored 'General case' 0 C--N 1.363 1.166 0 C-N-CA 127.104 2.162 . . . . 0.0 112.095 -174.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -75.61 -7.98 55.64 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 128.535 2.734 . . . . 0.0 112.948 -172.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.77 -36.44 14.27 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 126.604 1.962 . . . . 0.0 112.047 178.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.58 -43.62 10.08 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 125.553 1.541 . . . . 0.0 110.635 176.286 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -71.91 -0.74 12.14 Favored 'General case' 0 C--N 1.372 1.575 0 C-N-CA 125.372 1.469 . . . . 0.0 113.547 -174.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.08 -26.62 25.2 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 127.866 2.466 . . . . 0.0 110.541 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.12 -13.53 38.29 Favored 'General case' 0 C--N 1.363 1.174 0 C-N-CA 125.363 1.465 . . . . 0.0 112.509 173.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.2 mttp -86.29 -16.18 38.33 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 127.753 2.421 . . . . 0.0 113.486 -175.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -82.89 -15.84 49.88 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 124.847 1.259 . . . . 0.0 111.981 168.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.04 -26.42 20.31 Favored 'General case' 0 C--N 1.359 1.013 0 O-C-N 120.164 -1.585 . . . . 0.0 110.746 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -57.1 -39.86 75.89 Favored 'General case' 0 C--N 1.374 1.656 0 C-N-CA 128.802 2.841 . . . . 0.0 113.285 172.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.471 ' HA ' ' HD3' ' A' ' 32' ' ' LYS 0.266 1.4 mt-10 -90.85 -12.06 37.41 Favored 'General case' 0 C--N 1.364 1.214 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 178.536 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.94 -20.56 56.01 Favored 'General case' 0 C--N 1.369 1.434 0 O-C-N 118.527 -2.608 . . . . 0.0 112.365 175.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.8 28.52 1.14 Allowed 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 125.199 1.4 . . . . 0.0 113.933 169.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.471 ' HD3' ' HA ' ' A' ' 29' ' ' GLU . 2.5 mptm? -102.45 -67.98 0.85 Allowed 'General case' 0 C--N 1.369 1.453 0 C-N-CA 125.144 1.378 . . . . 0.0 110.624 167.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.6 mp0 -88.94 -29.28 19.69 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 124.438 1.095 . . . . 0.0 110.972 -169.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.85 -45.86 8.17 Favored 'General case' 0 C--N 1.36 1.032 0 C-N-CA 124.331 1.052 . . . . 0.0 112.354 171.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.327 36.9 t 89.63 -12.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.367 1.366 0 C-N-CA 126.232 1.813 . . . . 0.0 110.901 174.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -160.65 -70.24 0.07 Allowed 'General case' 0 CA--C 1.49 -1.348 0 N-CA-C 104.132 -2.544 . . . . 0.0 104.132 -167.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 97.37 38.58 0.0 OUTLIER 'General case' 0 N--CA 1.439 -1.016 0 C-N-CA 131.19 3.796 . . . . 0.0 108.653 -176.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 70.1 tttt . . . . . 0 C--O 1.268 2.067 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 173.086 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 . . . . . 0 N--CA 1.478 0.957 0 N-CA-C 101.335 -3.579 . . . . 0.0 101.335 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -177.47 -165.94 0.12 Allowed 'General case' 0 N--CA 1.431 -1.378 1 N-CA-C 99.416 -4.29 . . . . 0.0 99.416 -177.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -144.58 -172.97 3.92 Favored 'General case' 0 N--CA 1.433 -1.288 1 N-CA-C 98.199 -4.741 . . . . 0.0 98.199 -174.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -140.11 -70.92 0.38 Allowed 'General case' 0 CA--C 1.496 -1.126 0 N-CA-C 105.922 -1.881 . . . . 0.0 105.922 165.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -162.33 100.54 1.07 Allowed 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 105.668 -1.975 . . . . 0.0 105.668 -170.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.28 108.04 19.4 Favored 'General case' 0 C--N 1.358 0.964 0 C-N-CA 124.496 1.119 . . . . 0.0 108.909 174.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.436 ' HD3' ' H ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -100.57 127.13 47.04 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 126.701 2.001 . . . . 0.0 108.405 -178.199 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -157.26 154.17 28.69 Favored 'General case' 0 N--CA 1.438 -1.058 1 N-CA-C 99.57 -4.233 . . . . 0.0 99.57 -175.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.59 88.51 3.44 Favored 'General case' 0 C--N 1.35 0.595 0 C-N-CA 125.183 1.393 . . . . 0.0 107.314 170.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.7 m -173.47 -173.88 0.94 Allowed 'General case' 0 CA--C 1.498 -1.051 0 N-CA-C 101.97 -3.344 . . . . 0.0 101.97 -175.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -61.26 -20.23 62.62 Favored 'General case' 0 C--N 1.367 1.358 0 C-N-CA 129.629 3.171 . . . . 0.0 114.956 -178.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -64.35 -28.15 69.5 Favored 'General case' 0 C--N 1.359 1.017 0 C-N-CA 128.535 2.734 . . . . 0.0 114.133 166.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -100.14 -27.39 13.56 Favored 'General case' 0 CA--C 1.492 -1.267 0 O-C-N 120.767 -1.208 . . . . 0.0 109.735 -175.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -75.73 -32.52 60.05 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 128.143 2.577 . . . . 0.0 111.183 177.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.62 -35.82 33.5 Favored 'General case' 0 C--N 1.368 1.401 0 C-N-CA 125.922 1.689 . . . . 0.0 111.442 171.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.52 -28.6 56.44 Favored 'General case' 0 C--N 1.37 1.461 0 C-N-CA 124.408 1.083 . . . . 0.0 112.861 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.49 -21.17 63.7 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 126.944 2.098 . . . . 0.0 114.13 167.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.9 tttt -89.83 -17.47 28.04 Favored 'General case' 0 C--N 1.36 1.023 0 C-N-CA 126.005 1.722 . . . . 0.0 110.431 -171.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -81.63 -10.35 59.44 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 126.835 2.054 . . . . 0.0 111.509 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.19 -27.81 21.59 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 126.026 1.731 . . . . 0.0 112.288 -173.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -90.96 -35.15 14.86 Favored 'General case' 0 CA--C 1.498 -1.046 0 C-N-CA 127.255 2.222 . . . . 0.0 111.003 175.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 -87.05 -17.62 32.49 Favored 'General case' 0 CA--C 1.485 -1.52 0 C-N-CA 125.594 1.558 . . . . 0.0 109.624 -166.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.93 -37.26 76.28 Favored 'General case' 0 C--N 1.368 1.407 0 C-N-CA 127.014 2.126 . . . . 0.0 115.165 175.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.0 t -90.86 -6.18 54.56 Favored 'General case' 0 C--N 1.368 1.394 0 O-C-N 121.248 -0.908 . . . . 0.0 113.273 168.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -92.99 0.2 57.35 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 126.091 1.756 . . . . 0.0 113.143 172.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -82.98 -6.64 59.56 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 119.798 -1.814 . . . . 0.0 112.471 -163.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.06 -24.64 19.97 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 124.544 1.138 . . . . 0.0 112.957 157.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -91.01 -22.33 20.84 Favored 'General case' 0 C--N 1.357 0.923 0 C-N-CA 127.701 2.401 . . . . 0.0 112.82 -164.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -72.37 -25.23 61.44 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 127.564 2.345 . . . . 0.0 110.379 168.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.06 -35.76 18.54 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 126.57 1.948 . . . . 0.0 110.817 -176.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.66 32.6 0.87 Allowed 'General case' 0 C--N 1.368 1.387 0 CA-C-O 122.758 1.266 . . . . 0.0 111.357 170.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.49 -83.17 0.65 Allowed 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 126.813 2.045 . . . . 0.0 108.051 177.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -95.6 -9.55 31.89 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 120.673 -1.267 . . . . 0.0 113.2 -159.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.15 -3.65 56.85 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 125.449 1.5 . . . . 0.0 111.773 170.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.0 t -120.09 -65.28 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.011 0 C-N-CA 124.165 0.986 . . . . 0.0 109.169 -170.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -112.18 -35.72 5.55 Favored 'General case' 0 C--N 1.358 0.935 0 C-N-CA 123.138 0.575 . . . . 0.0 110.697 -161.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 76.06 21.82 1.48 Allowed 'General case' 0 C--N 1.368 1.394 0 C-N-CA 126.305 1.842 . . . . 0.0 113.636 168.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt . . . . . 0 C--O 1.266 1.922 0 N-CA-C 103.908 -2.627 . . . . 0.0 103.908 -175.205 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.5 -0.949 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 79.73 6.98 1.82 Allowed 'General case' 0 C--N 1.371 1.535 0 C-N-CA 125.87 1.668 . . . . 0.0 113.517 175.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -164.7 165.85 20.48 Favored 'General case' 0 CA--C 1.489 -1.387 1 N-CA-C 99.965 -4.087 . . . . 0.0 99.965 -171.82 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.37 89.08 2.13 Favored 'General case' 0 CA--C 1.502 -0.872 0 N-CA-C 101.972 -3.344 . . . . 0.0 101.972 177.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -155.4 172.74 17.71 Favored 'General case' 0 CA--C 1.496 -1.098 1 N-CA-C 100.187 -4.005 . . . . 0.0 100.187 -177.18 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.12 -46.53 8.4 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 126.207 1.803 . . . . 0.0 110.717 178.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -99.05 171.72 7.85 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 127.795 2.438 . . . . 0.0 107.471 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -106.26 -15.22 14.9 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 124.807 1.243 . . . . 0.0 110.439 -171.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.92 -161.85 0.89 Allowed 'General case' 0 C--N 1.36 1.039 0 C-N-CA 125.627 1.571 . . . . 0.0 109.559 175.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.4 m -134.16 32.66 3.42 Favored 'General case' 0 C--N 1.357 0.896 0 O-C-N 121.592 -0.692 . . . . 0.0 111.28 -171.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -82.11 -28.93 31.98 Favored 'General case' 0 C--N 1.361 1.104 0 CA-C-O 125.278 2.466 . . . . 0.0 110.039 175.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -92.61 -16.74 25.27 Favored 'General case' 0 N--CA 1.444 -0.757 1 C-N-CA 132.052 4.141 . . . . 0.0 106.918 -167.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.89 -31.55 19.42 Favored 'General case' 0 C--N 1.363 1.18 0 C-N-CA 127.355 2.262 . . . . 0.0 110.398 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.24 -42.01 16.32 Favored 'General case' 0 C--N 1.36 1.06 0 C-N-CA 127.543 2.337 . . . . 0.0 109.243 -179.573 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -88.33 -1.29 57.94 Favored 'General case' 0 C--N 1.363 1.169 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 -170.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.6 -11.42 40.03 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 126.541 1.936 . . . . 0.0 113.427 173.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.54 -29.35 17.93 Favored 'General case' 0 C--N 1.36 1.031 0 O-C-N 120.105 -1.622 . . . . 0.0 111.651 176.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.8 mttm -90.91 -10.53 42.2 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 128.731 2.812 . . . . 0.0 113.141 -176.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . 0.273 52.0 p30 -32.93 -26.26 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.831 1 C-N-CA 133.381 4.672 . . . . 0.0 121.669 -178.114 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.16 -33.48 24.23 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 126.225 1.81 . . . . 0.0 110.832 175.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -89.6 -14.12 35.69 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 125.917 1.687 . . . . 0.0 109.575 175.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -64.21 -18.38 64.46 Favored 'General case' 0 C--N 1.376 1.737 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 -176.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.47 -36.48 79.03 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 116.945 2.202 . . . . 0.0 116.945 173.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . 0.282 0.4 OUTLIER -90.92 -29.38 17.49 Favored 'General case' 0 C--N 1.368 1.384 0 O-C-N 120.996 -1.065 . . . . 0.0 113.333 174.298 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.636 ' HZ3' ' CD ' ' A' ' 28' ' ' GLU . 5.3 mmtm -50.9 -25.31 4.42 Favored 'General case' 0 C--N 1.368 1.405 0 C-N-CA 129.291 3.037 . . . . 0.0 118.717 173.37 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -70.82 -11.31 60.88 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 129.413 3.085 . . . . 0.0 114.059 -168.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.43 -45.8 8.75 Favored 'General case' 0 C--N 1.36 1.038 0 C-N-CA 127.218 2.207 . . . . 0.0 111.449 168.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.636 ' CD ' ' HZ3' ' A' ' 25' ' ' LYS . 39.0 mt-10 -65.52 -18.68 65.5 Favored 'General case' 0 C--N 1.379 1.883 0 C-N-CA 131.191 3.796 . . . . 0.0 112.828 -178.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.97 -61.1 2.79 Favored 'General case' 0 C--N 1.374 1.647 0 C-N-CA 127.119 2.168 . . . . 0.0 113.868 170.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.35 -38.22 30.93 Favored 'General case' 0 C--N 1.36 1.053 0 C-N-CA 127.589 2.356 . . . . 0.0 110.712 175.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.7 14.96 1.89 Allowed 'General case' 0 C--N 1.364 1.219 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 -179.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.8 pptp? -121.09 7.39 10.3 Favored 'General case' 0 C--N 1.368 1.406 0 C-N-CA 124.837 1.255 . . . . 0.0 111.276 157.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . 0.296 15.8 mt-10 -100.22 -42.88 6.5 Favored 'General case' 0 C--N 1.366 1.317 0 O-C-N 120.269 -1.519 . . . . 0.0 112.671 171.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.71 -31.26 15.88 Favored 'General case' 0 C--N 1.359 1.0 0 N-CA-C 115.512 1.671 . . . . 0.0 115.512 177.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.8 t -102.8 -15.6 7.84 Favored 'Isoleucine or valine' 0 C--N 1.349 0.554 0 C-N-CA 124.036 0.935 . . . . 0.0 109.936 -163.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -162.42 -168.21 1.79 Allowed 'General case' 0 CA--C 1.488 -1.417 0 N-CA-C 103.436 -2.802 . . . . 0.0 103.436 172.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -168.9 48.77 0.04 OUTLIER 'General case' 0 N--CA 1.439 -0.98 0 N-CA-C 105.654 -1.98 . . . . 0.0 105.654 -177.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.564 1.492 0 C-N-CA 125.896 1.678 . . . . 0.0 110.161 171.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.9 m . . . . . 0 CA--C 1.492 -1.282 1 N-CA-C 99.058 -4.423 . . . . 0.0 99.058 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.18 -0.5 9.9 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 127.19 2.196 . . . . 0.0 114.653 -176.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -83.05 -22.33 33.55 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 128.61 2.764 . . . . 0.0 111.087 171.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.65 -21.99 16.15 Favored 'General case' 0 C--N 1.367 1.351 0 O-C-N 121.339 -0.851 . . . . 0.0 109.989 170.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -80.56 -37.87 30.6 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 126.478 1.911 . . . . 0.0 111.932 -175.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.32 -34.39 25.69 Favored 'General case' 0 C--N 1.369 1.455 0 C-N-CA 123.552 0.741 . . . . 0.0 111.898 -177.5 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.12 -11.61 59.98 Favored 'General case' 0 C--N 1.361 1.076 0 C-N-CA 127.023 2.129 . . . . 0.0 112.011 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.63 -18.17 25.6 Favored 'General case' 0 C--N 1.357 0.922 0 C-N-CA 127.021 2.128 . . . . 0.0 112.544 168.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -90.29 -43.94 10.03 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 124.054 0.942 . . . . 0.0 109.165 -175.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -89.94 16.5 8.13 Favored 'General case' 0 C--N 1.361 1.087 0 O-C-N 120.645 -1.285 . . . . 0.0 111.047 176.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.82 -36.45 14.23 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 128.497 2.719 . . . . 0.0 113.171 163.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -82.34 -30.09 30.62 Favored 'General case' 0 C--N 1.385 2.121 0 C-N-CA 125.641 1.576 . . . . 0.0 110.32 -177.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -67.93 -23.04 65.03 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 128.274 2.63 . . . . 0.0 112.458 -161.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.35 -30.96 38.02 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 125.003 1.321 . . . . 0.0 112.336 175.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.3 m -90.3 -13.13 35.86 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 126.059 1.744 . . . . 0.0 112.162 177.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.3 mmtm -72.31 -42.37 65.52 Favored 'General case' 0 C--N 1.367 1.35 0 C-N-CA 125.729 1.611 . . . . 0.0 112.004 165.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 . . . . . 0 C--N 1.367 1.356 0 C-N-CA 125.05 1.34 . . . . 0.0 112.547 168.582 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.316 4.7 m . . . . . 0 N--CA 1.473 0.68 0 N-CA-C 116.143 1.905 . . . . 0.0 116.143 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -100.9 -24.56 14.33 Favored 'General case' 0 CA--C 1.505 -0.773 0 C-N-CA 127.936 2.494 . . . . 0.0 109.827 171.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -101.29 -47.05 4.84 Favored 'General case' 0 CA--C 1.495 -1.167 0 C-N-CA 128.11 2.564 . . . . 0.0 109.076 -175.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.67 -17.26 27.13 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 127.397 2.279 . . . . 0.0 111.391 -160.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -90.88 -31.27 16.49 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 129.294 3.037 . . . . 0.0 108.434 173.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -87.35 -30.2 20.97 Favored 'General case' 0 C--N 1.366 1.301 0 C-N-CA 127.367 2.267 . . . . 0.0 110.586 -174.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.43 -15.16 63.52 Favored 'General case' 0 C--N 1.362 1.112 0 C-N-CA 126.36 1.864 . . . . 0.0 113.845 175.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.68 -15.66 29.95 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 128.234 2.614 . . . . 0.0 114.003 171.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.5 mmtm -90.5 -15.06 31.48 Favored 'General case' 0 C--N 1.369 1.416 0 C-N-CA 125.508 1.523 . . . . 0.0 111.758 -177.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.555 ' HA ' ' HB2' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -63.63 0.43 0.78 Allowed 'General case' 0 C--N 1.352 0.704 0 C-N-CA 129.72 3.208 . . . . 0.0 118.231 -163.645 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.4 -39.26 12.09 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 127.87 2.468 . . . . 0.0 112.261 167.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -84.82 -17.96 36.44 Favored 'General case' 0 C--N 1.379 1.863 0 C-N-CA 129.593 3.157 . . . . 0.0 108.535 -176.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.555 ' HB2' ' HA ' ' A' ' 19' ' ' ASP . 1.7 t30 -74.65 -16.31 60.78 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 129.126 2.97 . . . . 0.0 115.078 -171.093 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.06 -50.98 51.8 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 170.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.7 t -91.79 8.44 37.11 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 124.9 1.28 . . . . 0.0 113.216 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -82.11 -23.87 35.46 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 127.293 2.237 . . . . 0.0 110.779 -177.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.1 tp10 . . . . . 0 C--N 1.355 0.826 0 CA-C-O 122.664 1.221 . . . . 0.0 112.161 -178.443 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.2 m . . . . . 0 CA--C 1.5 -0.975 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -92.39 -18.2 23.61 Favored 'General case' 0 C--N 1.361 1.087 0 C-N-CA 127.19 2.196 . . . . 0.0 109.739 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -100.42 -7.72 24.02 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 129.549 3.14 . . . . 0.0 107.981 -169.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -99.39 -14.11 19.29 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 127.106 2.163 . . . . 0.0 110.198 -176.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -84.33 -35.02 23.55 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 126.192 1.797 . . . . 0.0 109.779 178.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.68 -26.57 25.88 Favored 'General case' 0 C--N 1.356 0.871 0 O-C-N 120.359 -1.463 . . . . 0.0 109.679 -175.463 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.11 -6.69 52.35 Favored 'General case' 0 C--N 1.362 1.113 0 C-N-CA 126.707 2.003 . . . . 0.0 113.494 169.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.49 -27.65 19.08 Favored 'General case' 0 C--N 1.366 1.29 0 C-N-CA 124.401 1.08 . . . . 0.0 109.971 167.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -81.67 -35.99 29.27 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 126.021 1.728 . . . . 0.0 112.291 -172.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -90.07 2.97 54.63 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 124.928 1.291 . . . . 0.0 111.251 176.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.75 -53.51 4.38 Favored 'General case' 0 C--N 1.361 1.108 0 C-N-CA 126.482 1.913 . . . . 0.0 109.659 161.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -61.09 -39.35 89.59 Favored 'General case' 0 C--N 1.386 2.161 0 C-N-CA 128.159 2.584 . . . . 0.0 113.548 -179.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -62.89 -13.02 29.14 Favored 'General case' 0 C--N 1.37 1.493 0 C-N-CA 127.046 2.138 . . . . 0.0 116.018 -178.292 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.15 -28.89 57.57 Favored 'General case' 0 C--N 1.356 0.891 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 173.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.1 m -90.83 -30.98 16.65 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 125.83 1.652 . . . . 0.0 113.494 176.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -60.76 -8.53 3.07 Favored 'General case' 0 C--N 1.362 1.128 0 C-N-CA 129.993 3.317 . . . . 0.0 116.527 -173.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 . . . . . 0 CA--C 1.54 0.578 0 C-N-CA 127.305 2.242 . . . . 0.0 112.208 171.634 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.5 m . . . . . 0 CA--C 1.498 -1.025 0 N-CA-C 102.117 -3.29 . . . . 0.0 102.117 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.7 -16.35 28.67 Favored 'General case' 0 C--N 1.363 1.178 0 C-N-CA 125.658 1.583 . . . . 0.0 109.553 173.198 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -71.75 -42.48 67.18 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 127.793 2.437 . . . . 0.0 111.547 -171.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.42 -6.15 59.37 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 126.109 1.763 . . . . 0.0 111.984 -178.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -90.46 -42.22 10.99 Favored 'General case' 0 C--N 1.359 1.006 0 C-N-CA 128.318 2.647 . . . . 0.0 109.427 172.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.6 -43.53 18.52 Favored 'General case' 0 C--N 1.362 1.114 0 C-N-CA 126.835 2.054 . . . . 0.0 111.76 -176.251 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.85 -15.61 61.61 Favored 'General case' 0 C--N 1.37 1.471 0 C-N-CA 126.507 1.923 . . . . 0.0 112.866 -177.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.09 -24.49 30.32 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 128.078 2.551 . . . . 0.0 112.223 173.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -91.19 -24.8 19.81 Favored 'General case' 0 C--N 1.373 1.623 0 C-N-CA 124.937 1.295 . . . . 0.0 112.601 -178.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -88.13 16.7 5.8 Favored 'General case' 0 C--N 1.363 1.175 0 O-C-N 120.769 -1.207 . . . . 0.0 111.205 176.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.71 -36.63 14.21 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 126.196 1.798 . . . . 0.0 110.658 169.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -90.97 -47.0 7.83 Favored 'General case' 0 C--N 1.37 1.465 0 C-N-CA 127.713 2.405 . . . . 0.0 107.808 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -68.13 -10.01 50.84 Favored 'General case' 0 C--N 1.373 1.603 0 C-N-CA 128.335 2.654 . . . . 0.0 114.418 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.7 -41.9 64.78 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 124.818 1.247 . . . . 0.0 112.537 174.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.5 m -91.26 -16.63 27.28 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 124.345 1.058 . . . . 0.0 113.424 -177.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm -64.09 -24.28 67.64 Favored 'General case' 0 C--N 1.365 1.26 0 C-N-CA 126.276 1.83 . . . . 0.0 115.728 -178.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 . . . . . 0 C--N 1.372 1.562 0 C-N-CA 128.474 2.71 . . . . 0.0 113.44 166.278 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.9 m . . . . . 0 N--CA 1.435 -1.207 1 N-CA-C 97.64 -4.948 . . . . 0.0 97.64 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -71.45 -26.39 62.7 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 127.036 2.134 . . . . 0.0 114.072 -167.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -76.08 -17.94 59.42 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 127.422 2.289 . . . . 0.0 113.38 173.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -95.19 -29.85 14.32 Favored 'General case' 0 C--N 1.362 1.123 0 O-C-N 120.727 -1.233 . . . . 0.0 109.067 170.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.5 -40.92 22.49 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 126.002 1.721 . . . . 0.0 111.463 -171.387 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.76 -28.45 36.44 Favored 'General case' 0 C--N 1.367 1.37 0 C-N-CA 125.339 1.456 . . . . 0.0 111.955 -179.461 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.27 -2.95 40.44 Favored 'General case' 0 C--N 1.367 1.341 0 C-N-CA 124.908 1.283 . . . . 0.0 113.861 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.36 -28.68 18.54 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 125.895 1.678 . . . . 0.0 111.819 167.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -90.36 -36.15 14.8 Favored 'General case' 0 C--N 1.362 1.139 0 C-N-CA 126.973 2.109 . . . . 0.0 111.164 -174.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.96 -8.83 59.55 Favored 'General case' 0 C--N 1.368 1.407 0 C-N-CA 125.604 1.562 . . . . 0.0 111.808 178.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.94 -31.87 25.37 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 127.777 2.431 . . . . 0.0 111.593 174.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.56 -25.66 20.1 Favored 'General case' 0 C--N 1.374 1.662 0 C-N-CA 124.402 1.081 . . . . 0.0 111.623 176.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -77.89 1.02 21.84 Favored 'General case' 0 C--N 1.368 1.398 0 C-N-CA 126.485 1.914 . . . . 0.0 113.169 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.27 -33.45 24.02 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 126.389 1.876 . . . . 0.0 112.172 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.2 t -90.98 -35.55 14.61 Favored 'General case' 0 C--N 1.368 1.394 0 C-N-CA 124.37 1.068 . . . . 0.0 110.313 173.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -52.18 -29.39 22.13 Favored 'General case' 0 C--N 1.365 1.274 0 N-CA-C 116.467 2.025 . . . . 0.0 116.467 -177.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--N 1.353 0.734 0 C-N-CA 129.984 3.313 . . . . 0.0 114.419 174.437 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.1 m . . . . . 0 CA--C 1.504 -0.799 0 CA-C-O 121.072 0.463 . . . . 0.0 109.799 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -100.42 -38.64 8.33 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 124.841 1.256 . . . . 0.0 110.332 -168.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.7 -25.39 60.2 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 131.112 3.765 . . . . 0.0 110.69 -173.732 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.52 -16.84 31.62 Favored 'General case' 0 C--N 1.364 1.229 0 C-N-CA 128.135 2.574 . . . . 0.0 111.673 176.08 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -90.9 -49.87 6.19 Favored 'General case' 0 C--N 1.373 1.612 0 C-N-CA 125.044 1.338 . . . . 0.0 108.916 172.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -64.95 -33.2 75.47 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 125.356 1.462 . . . . 0.0 112.799 -169.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.64 -13.97 26.92 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 126.842 2.057 . . . . 0.0 115.837 169.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.92 -27.04 19.0 Favored 'General case' 0 C--N 1.365 1.274 0 C-N-CA 125.548 1.539 . . . . 0.0 113.117 171.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -90.07 -24.02 21.26 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 126.915 2.086 . . . . 0.0 111.004 178.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -79.24 5.9 11.14 Favored 'General case' 0 C--N 1.36 1.052 0 C-N-CA 127.262 2.225 . . . . 0.0 112.479 177.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.14 -34.02 16.02 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 127.308 2.243 . . . . 0.0 110.592 163.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -90.09 -32.14 16.83 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 125.333 1.453 . . . . 0.0 109.033 -174.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -77.23 -0.44 25.24 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 129.066 2.946 . . . . 0.0 113.487 167.346 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -90.44 -51.1 5.58 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 124.659 1.183 . . . . 0.0 109.992 169.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.4 p -90.71 12.64 18.48 Favored 'General case' 0 C--N 1.356 0.891 0 N-CA-C 115.649 1.722 . . . . 0.0 115.649 -178.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.54 -25.96 28.37 Favored 'General case' 0 C--N 1.363 1.162 0 O-C-N 120.373 -1.454 . . . . 0.0 110.512 178.097 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 . . . . . 0 C--N 1.359 1.015 0 C-N-CA 127.204 2.202 . . . . 0.0 111.909 169.325 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.1 m . . . . . 0 CA--C 1.491 -1.3 1 N-CA-C 100.031 -4.062 . . . . 0.0 100.031 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -51.03 -31.56 18.82 Favored 'General case' 0 C--N 1.368 1.383 0 C-N-CA 130.006 3.322 . . . . 0.0 114.857 175.353 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.23 -43.04 92.37 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 130.085 3.354 . . . . 0.0 115.196 171.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.99 -26.13 16.95 Favored 'General case' 0 CA--C 1.491 -1.315 0 C-N-CA 124.95 1.3 . . . . 0.0 108.31 -173.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.74 -24.72 35.93 Favored 'General case' 0 C--N 1.365 1.254 0 C-N-CA 124.638 1.175 . . . . 0.0 111.219 179.02 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.07 -38.19 13.74 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 125.257 1.423 . . . . 0.0 112.104 175.378 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.92 -25.77 53.32 Favored 'General case' 0 C--N 1.365 1.253 0 CA-C-O 122.171 0.986 . . . . 0.0 112.533 -174.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.07 -8.41 51.5 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 123.994 0.918 . . . . 0.0 111.519 176.306 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.4 tttm -82.62 -42.05 18.72 Favored 'General case' 0 C--N 1.362 1.149 0 C-N-CA 125.898 1.679 . . . . 0.0 109.188 -176.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -75.06 -31.91 61.37 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 127.705 2.402 . . . . 0.0 110.856 175.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.27 -28.63 18.68 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 125.566 1.547 . . . . 0.0 113.901 -173.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -90.13 -18.57 25.58 Favored 'General case' 0 C--N 1.37 1.499 0 CA-C-N 120.31 1.414 . . . . 0.0 112.106 172.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -79.6 -28.72 41.01 Favored 'General case' 0 C--N 1.366 1.287 0 CA-C-N 120.422 1.464 . . . . 0.0 112.131 -176.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.66 -27.34 63.96 Favored 'General case' 0 C--N 1.36 1.028 0 C-N-CA 124.841 1.256 . . . . 0.0 113.254 -176.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -90.93 -7.8 51.1 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 126.09 1.756 . . . . 0.0 112.977 173.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -91.01 -29.08 17.58 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 127.763 2.425 . . . . 0.0 110.992 173.005 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 . . . . . 0 C--N 1.372 1.555 0 C-N-CA 126.842 2.057 . . . . 0.0 112.061 172.15 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.7 m . . . . . 0 CA--C 1.493 -1.215 0 N-CA-C 101.063 -3.68 . . . . 0.0 101.063 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -56.53 -33.15 65.8 Favored 'General case' 0 C--N 1.373 1.625 0 C-N-CA 127.789 2.436 . . . . 0.0 114.556 -175.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -72.37 -10.01 59.23 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 129.86 3.264 . . . . 0.0 114.613 175.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.12 -27.37 12.6 Favored 'General case' 0 CA--C 1.502 -0.894 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 176.181 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -87.65 -30.69 20.24 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 126.212 1.805 . . . . 0.0 109.684 -173.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -83.28 -27.67 29.68 Favored 'General case' 0 C--N 1.365 1.25 0 C-N-CA 130.223 3.409 . . . . 0.0 110.791 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.93 -1.52 57.82 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 125.084 1.354 . . . . 0.0 112.911 174.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.81 -22.71 20.87 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 126.121 1.768 . . . . 0.0 111.502 164.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.8 mttp -87.17 -21.13 26.11 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 126.642 1.977 . . . . 0.0 111.088 -155.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -91.4 -8.73 47.1 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 127.22 2.208 . . . . 0.0 113.774 171.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.71 -28.09 18.55 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 125.369 1.468 . . . . 0.0 111.448 177.239 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.02 -35.64 25.64 Favored 'General case' 0 C--N 1.368 1.398 0 C-N-CA 125.078 1.351 . . . . 0.0 109.376 172.738 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 -78.53 13.19 1.68 Allowed 'General case' 0 C--N 1.364 1.227 0 C-N-CA 125.054 1.341 . . . . 0.0 114.39 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.6 -27.61 21.23 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 125.709 1.604 . . . . 0.0 112.035 168.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.2 p -90.41 -31.79 16.69 Favored 'General case' 0 C--N 1.369 1.436 0 CA-C-O 123.263 1.506 . . . . 0.0 110.16 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -82.88 24.76 0.72 Allowed 'General case' 0 C--N 1.355 0.811 0 C-N-CA 129.224 3.01 . . . . 0.0 112.273 175.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 . . . . . 0 C--N 1.358 0.952 0 C-N-CA 129.31 3.044 . . . . 0.0 106.961 163.187 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.2 m . . . . . 0 CA--C 1.495 -1.15 1 N-CA-C 97.368 -5.049 . . . . 0.0 97.368 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -71.08 -28.74 64.56 Favored 'General case' 0 C--N 1.36 1.028 0 C-N-CA 127.699 2.4 . . . . 0.0 112.418 -176.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -83.87 5.75 24.09 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 126.904 2.082 . . . . 0.0 113.497 175.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.61 -25.72 13.07 Favored 'General case' 0 C--N 1.365 1.245 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 158.274 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -86.85 -44.79 11.43 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 126.144 1.777 . . . . 0.0 109.436 -162.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.5 tp60 -65.04 -24.29 67.43 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 130.485 3.514 . . . . 0.0 112.839 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.09 -19.35 32.01 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 126.54 1.936 . . . . 0.0 111.916 174.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.76 -24.32 20.4 Favored 'General case' 0 C--N 1.371 1.519 0 O-C-N 121.147 -0.971 . . . . 0.0 110.394 170.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.7 mttp -77.87 -18.68 55.94 Favored 'General case' 0 C--N 1.368 1.401 0 C-N-CA 127.742 2.417 . . . . 0.0 111.699 -173.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -81.96 -26.62 33.8 Favored 'General case' 0 C--N 1.358 0.935 0 C-N-CA 126.287 1.835 . . . . 0.0 111.035 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.52 -29.76 23.96 Favored 'General case' 0 C--N 1.359 0.991 0 C-N-CA 125.574 1.55 . . . . 0.0 112.435 -177.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.97 -6.65 55.44 Favored 'General case' 0 C--N 1.36 1.054 0 C-N-CA 125.022 1.329 . . . . 0.0 112.352 171.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -85.14 -16.64 39.77 Favored 'General case' 0 C--N 1.37 1.48 0 C-N-CA 127.267 2.227 . . . . 0.0 111.63 176.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.0 -21.88 66.43 Favored 'General case' 0 C--N 1.361 1.077 0 N-CA-C 116.022 1.86 . . . . 0.0 116.022 177.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.9 m -91.06 -17.71 25.78 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 125.878 1.671 . . . . 0.0 113.7 172.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -90.78 -24.15 20.43 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 129.279 3.032 . . . . 0.0 111.556 -170.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 . . . . . 0 C--N 1.368 1.377 0 C-N-CA 127.141 2.176 . . . . 0.0 112.601 173.888 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.5 t . . . . . 0 N--CA 1.439 -0.99 1 N-CA-C 98.389 -4.671 . . . . 0.0 98.389 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.43 -31.36 63.79 Favored 'General case' 0 CA--C 1.487 -1.454 0 C-N-CA 129.673 3.189 . . . . 0.0 112.147 -163.372 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -86.11 -17.72 34.29 Favored 'General case' 0 CA--C 1.504 -0.817 0 C-N-CA 124.153 0.981 . . . . 0.0 110.497 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.63 -30.99 24.46 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 123.714 0.806 . . . . 0.0 110.734 168.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -89.88 -40.76 12.21 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 125.355 1.462 . . . . 0.0 111.851 -171.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.427 ' O ' ' HB2' ' A' ' 19' ' ' ASP . 31.2 tp60 -69.13 -22.86 63.93 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 126.407 1.883 . . . . 0.0 109.482 177.54 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.16 -0.24 35.16 Favored 'General case' 0 C--N 1.358 0.939 0 C-N-CA 125.678 1.591 . . . . 0.0 114.042 171.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.51 -43.96 9.37 Favored 'General case' 0 C--N 1.37 1.467 0 C-N-CA 124.529 1.132 . . . . 0.0 109.733 159.027 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -83.11 -21.11 33.75 Favored 'General case' 0 C--N 1.356 0.889 0 C-N-CA 126.499 1.92 . . . . 0.0 112.942 -168.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.427 ' HB2' ' O ' ' A' ' 15' ' ' GLN . 1.4 t70 -82.07 -0.8 46.21 Favored 'General case' 0 C--N 1.362 1.126 0 O-C-N 120.037 -1.664 . . . . 0.0 111.829 179.178 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.55 -21.8 21.6 Favored 'General case' 0 C--N 1.363 1.154 0 C-N-CA 127.407 2.283 . . . . 0.0 112.18 161.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -90.7 -24.52 20.41 Favored 'General case' 0 C--N 1.375 1.712 0 C-N-CA 125.307 1.443 . . . . 0.0 110.088 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -69.4 -31.61 70.09 Favored 'General case' 0 C--N 1.366 1.319 0 C-N-CA 129.773 3.229 . . . . 0.0 112.667 175.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.65 -30.82 64.62 Favored 'General case' 0 C--N 1.36 1.057 0 CA-C-N 121.092 1.769 . . . . 0.0 114.529 -171.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.8 t -90.87 0.76 57.4 Favored 'General case' 0 C--N 1.358 0.958 0 C-N-CA 125.067 1.347 . . . . 0.0 111.61 170.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.81 -8.84 48.53 Favored 'General case' 0 C--N 1.369 1.448 0 C-N-CA 127.493 2.317 . . . . 0.0 109.153 172.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 . . . . . 0 C--N 1.36 1.064 0 C-N-CA 127.288 2.235 . . . . 0.0 111.865 171.232 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.7 m . . . . . 0 N--CA 1.442 -0.864 0 N-CA-C 101.524 -3.51 . . . . 0.0 101.524 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -63.16 -18.55 63.59 Favored 'General case' 0 C--N 1.366 1.312 0 C-N-CA 127.83 2.452 . . . . 0.0 114.733 -173.025 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -86.76 -2.92 58.94 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 119.948 -1.72 . . . . 0.0 112.679 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.98 -39.25 4.27 Favored 'General case' 0 CA--C 1.499 -0.998 0 N-CA-C 106.649 -1.611 . . . . 0.0 106.649 159.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -74.49 -27.03 60.38 Favored 'General case' 0 C--N 1.363 1.155 0 C-N-CA 126.684 1.994 . . . . 0.0 115.199 -169.328 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -74.97 -28.18 60.46 Favored 'General case' 0 C--N 1.372 1.584 0 O-C-N 119.4 -2.062 . . . . 0.0 111.045 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.58 -6.6 58.83 Favored 'General case' 0 C--N 1.363 1.171 0 C-N-CA 126.613 1.965 . . . . 0.0 113.821 178.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.12 -30.41 16.73 Favored 'General case' 0 C--N 1.364 1.234 0 CA-C-O 122.531 1.158 . . . . 0.0 110.902 164.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.1 tttp -79.27 -20.46 48.02 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 125.492 1.517 . . . . 0.0 111.058 -163.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -90.15 -3.72 57.71 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 124.224 1.01 . . . . 0.0 111.582 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.13 -37.25 13.5 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 126.768 2.027 . . . . 0.0 112.013 168.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -82.18 -26.97 32.93 Favored 'General case' 0 C--N 1.371 1.539 0 C-N-CA 126.959 2.104 . . . . 0.0 111.557 178.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -63.77 -17.63 63.25 Favored 'General case' 0 C--N 1.378 1.84 0 C-N-CA 127.312 2.245 . . . . 0.0 114.799 173.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.55 -31.95 63.92 Favored 'General case' 0 C--N 1.364 1.2 0 C-N-CA 125.453 1.501 . . . . 0.0 113.072 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.57 -6.42 54.71 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 126.353 1.861 . . . . 0.0 112.293 173.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.8 tmtm? -90.25 -28.1 19.05 Favored 'General case' 0 C--N 1.361 1.093 0 O-C-N 119.695 -1.878 . . . . 0.0 111.569 -172.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.373 1.61 0 C-N-CA 127.009 2.124 . . . . 0.0 112.439 -174.097 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.2 m . . . . . 0 CA--C 1.496 -1.096 0 N-CA-C 101.918 -3.364 . . . . 0.0 101.918 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -70.09 -15.34 62.97 Favored 'General case' 0 C--N 1.363 1.178 0 C-N-CA 125.19 1.396 . . . . 0.0 113.539 -172.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -69.75 -22.36 63.37 Favored 'General case' 0 C--N 1.359 1.019 0 C-N-CA 126.978 2.111 . . . . 0.0 114.472 164.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.23 -14.01 21.66 Favored 'General case' 0 C--N 1.365 1.272 0 O-C-N 119.307 -2.12 . . . . 0.0 109.415 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 -90.68 -35.31 15.01 Favored 'General case' 0 N--CA 1.433 -1.277 0 C-N-CA 127.782 2.433 . . . . 0.0 111.667 173.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -81.51 -43.46 18.76 Favored 'General case' 0 C--N 1.366 1.321 0 C-N-CA 126.657 1.983 . . . . 0.0 112.636 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.05 -5.56 49.31 Favored 'General case' 0 C--N 1.366 1.283 0 O-C-N 120.314 -1.492 . . . . 0.0 112.541 -177.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.58 -20.87 22.11 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 128.932 2.893 . . . . 0.0 111.161 166.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -90.89 -26.66 19.23 Favored 'General case' 0 C--N 1.361 1.108 0 C-N-CA 126.231 1.813 . . . . 0.0 111.076 -176.071 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -90.3 -2.35 58.0 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 120.571 -1.331 . . . . 0.0 110.193 -176.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.23 -31.2 17.1 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 126.56 1.944 . . . . 0.0 111.428 171.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -90.34 -13.58 34.85 Favored 'General case' 0 C--N 1.373 1.607 0 C-N-CA 125.712 1.605 . . . . 0.0 111.278 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.417 ' HA ' ' HB2' ' A' ' 25' ' ' LYS . 17.8 m-20 -82.31 -12.45 57.99 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 126.459 1.904 . . . . 0.0 111.604 -177.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.57 -35.81 63.04 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 124.595 1.158 . . . . 0.0 113.609 -177.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.5 p -89.99 -8.0 52.66 Favored 'General case' 0 C--N 1.359 0.993 0 C-N-CA 126.248 1.819 . . . . 0.0 110.791 175.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 22' ' ' ASN . 1.5 mptm? -90.58 -11.64 39.39 Favored 'General case' 0 C--N 1.349 0.555 0 C-N-CA 127.065 2.146 . . . . 0.0 114.047 174.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 . . . . . 0 C--N 1.364 1.231 0 C-N-CA 124.115 0.966 . . . . 0.0 110.978 156.605 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.5 m . . . . . 0 CA--C 1.501 -0.923 0 N-CA-C 104.588 -2.375 . . . . 0.0 104.588 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.573 ' HA ' ' HB2' ' A' ' 14' ' ' GLU . 16.1 pt20 -88.83 -13.33 39.57 Favored 'General case' 0 C--N 1.368 1.406 0 C-N-CA 123.78 0.832 . . . . 0.0 111.391 -172.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.7 -4.64 56.78 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 130.865 3.666 . . . . 0.0 110.745 172.605 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.33 -14.49 13.3 Favored 'General case' 0 N--CA 1.437 -1.12 0 C-N-CA 126.844 2.058 . . . . 0.0 107.766 176.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.573 ' HB2' ' HA ' ' A' ' 11' ' ' GLN . 0.5 OUTLIER -90.61 -43.81 9.93 Favored 'General case' 0 C--N 1.365 1.254 0 C-N-CA 128.609 2.764 . . . . 0.0 107.649 177.246 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -62.34 -10.57 11.58 Favored 'General case' 0 C--N 1.367 1.361 0 C-N-CA 129.114 2.966 . . . . 0.0 116.23 -178.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.51 -19.3 31.39 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 119.979 -1.7 . . . . 0.0 114.569 165.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.9 -38.89 12.03 Favored 'General case' 0 C--N 1.363 1.182 0 C-N-CA 125.696 1.599 . . . . 0.0 111.88 165.456 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.1 tttp -87.35 -9.0 56.0 Favored 'General case' 0 C--N 1.374 1.658 0 C-N-CA 128.409 2.683 . . . . 0.0 112.236 -159.129 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.28 14.14 4.64 Favored 'General case' 0 C--N 1.365 1.244 0 O-C-N 120.29 -1.506 . . . . 0.0 111.737 175.554 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.56 -44.93 9.24 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 129.636 3.174 . . . . 0.0 111.671 167.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.85 -13.05 34.48 Favored 'General case' 0 C--N 1.381 1.964 0 C-N-CA 125.727 1.611 . . . . 0.0 111.616 -173.761 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.8 m-20 -62.37 -25.59 68.0 Favored 'General case' 0 C--N 1.372 1.561 0 C-N-CA 128.153 2.581 . . . . 0.0 112.257 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.21 -31.77 70.58 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 128.405 2.682 . . . . 0.0 114.489 174.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.88 -16.71 27.72 Favored 'General case' 0 C--N 1.354 0.8 0 C-N-CA 125.923 1.689 . . . . 0.0 113.062 171.055 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -90.28 -14.44 33.25 Favored 'General case' 0 C--N 1.351 0.647 0 C-N-CA 124.115 0.966 . . . . 0.0 113.126 177.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 . . . . . 0 C--N 1.369 1.424 0 C-N-CA 125.811 1.645 . . . . 0.0 109.959 167.439 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.285 20.2 m . . . . . 0 CA--C 1.511 -0.527 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -84.66 -33.77 23.16 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 125.903 1.681 . . . . 0.0 111.498 -175.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.7 -9.57 59.66 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 128.244 2.618 . . . . 0.0 111.346 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.35 -21.45 18.97 Favored 'General case' 0 C--N 1.356 0.877 0 C-N-CA 125.407 1.483 . . . . 0.0 110.039 179.106 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -91.81 -45.96 8.12 Favored 'General case' 0 C--N 1.364 1.217 0 C-N-CA 126.715 2.006 . . . . 0.0 109.859 176.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -73.67 -20.95 60.41 Favored 'General case' 0 C--N 1.364 1.204 0 C-N-CA 126.28 1.832 . . . . 0.0 112.209 -170.041 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.93 -24.13 66.05 Favored 'General case' 0 C--N 1.362 1.115 0 C-N-CA 125.426 1.49 . . . . 0.0 114.688 166.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.66 -19.56 26.04 Favored 'General case' 0 C--N 1.372 1.558 0 CA-C-N 120.274 1.397 . . . . 0.0 113.455 178.191 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -88.82 -24.35 22.6 Favored 'General case' 0 C--N 1.361 1.075 0 O-C-N 121.001 -1.062 . . . . 0.0 111.262 -173.461 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.27 12.4 2.94 Favored 'General case' 0 C--N 1.36 1.037 0 C-N-CA 125.841 1.657 . . . . 0.0 114.605 -172.173 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.58 -30.26 17.32 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 128.695 2.798 . . . . 0.0 111.339 166.165 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -90.67 -33.98 15.6 Favored 'General case' 0 C--N 1.368 1.411 0 C-N-CA 126.683 1.993 . . . . 0.0 108.681 175.263 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -73.38 -5.79 42.06 Favored 'General case' 0 C--N 1.371 1.521 0 C-N-CA 125.024 1.33 . . . . 0.0 113.83 -177.119 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.07 -29.93 58.15 Favored 'General case' 0 C--N 1.355 0.819 0 O-C-N 120.762 -1.211 . . . . 0.0 112.671 178.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.0 t -91.62 -26.44 18.69 Favored 'General case' 0 C--N 1.365 1.265 0 C-N-CA 124.641 1.176 . . . . 0.0 110.878 165.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -89.15 23.45 2.44 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 125.722 1.609 . . . . 0.0 113.186 -177.32 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.36 1.023 0 C-N-CA 127.147 2.179 . . . . 0.0 111.526 175.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.9 m . . . . . 0 CA--C 1.512 -0.481 0 CA-C-O 120.876 0.369 . . . . 0.0 111.818 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -88.75 -32.71 17.78 Favored 'General case' 0 C--N 1.362 1.152 0 C-N-CA 130.532 3.533 . . . . 0.0 109.725 177.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -92.57 7.46 43.19 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 127.763 2.425 . . . . 0.0 109.373 -174.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.47 -9.36 10.87 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 127.009 2.123 . . . . 0.0 108.527 169.349 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -90.84 -39.42 12.35 Favored 'General case' 0 C--N 1.371 1.514 0 CA-C-N 119.18 0.9 . . . . 0.0 109.452 173.201 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.4 tm0? -76.03 -44.73 37.87 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 125.32 1.448 . . . . 0.0 111.433 -175.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.97 4.84 31.79 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 125.487 1.515 . . . . 0.0 112.247 179.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.27 -22.37 20.61 Favored 'General case' 0 C--N 1.358 0.959 0 C-N-CA 127.15 2.18 . . . . 0.0 111.98 159.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -88.16 -36.05 17.06 Favored 'General case' 0 C--N 1.376 1.741 0 C-N-CA 124.811 1.245 . . . . 0.0 110.605 -164.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -88.96 26.3 1.59 Allowed 'General case' 0 C--N 1.362 1.11 0 C-N-CA 127.661 2.384 . . . . 0.0 111.414 -171.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.46 -52.66 4.8 Favored 'General case' 0 N--CA 1.439 -0.997 0 C-N-CA 128.399 2.679 . . . . 0.0 109.144 157.372 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -90.53 -34.37 15.56 Favored 'General case' 0 C--N 1.364 1.2 0 C-N-CA 126.693 1.997 . . . . 0.0 110.251 -168.126 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -70.73 -21.64 62.52 Favored 'General case' 0 C--N 1.359 0.993 0 C-N-CA 129.914 3.286 . . . . 0.0 111.63 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.36 -24.88 50.63 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 125.975 1.71 . . . . 0.0 113.414 -177.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.4 m -90.9 -22.68 20.78 Favored 'General case' 0 C--N 1.36 1.023 0 C-N-CA 125.905 1.682 . . . . 0.0 111.518 170.181 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -79.31 -29.8 42.55 Favored 'General case' 0 C--N 1.368 1.401 0 C-N-CA 126.175 1.79 . . . . 0.0 111.003 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 . . . . . 0 C--N 1.369 1.419 0 C-N-CA 129.006 2.922 . . . . 0.0 113.635 167.069 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.493 -1.234 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -83.58 -6.01 59.33 Favored 'General case' 0 C--N 1.349 0.582 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -170.062 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -99.59 -30.02 12.37 Favored 'General case' 0 C--N 1.363 1.183 0 CA-C-O 123.47 1.605 . . . . 0.0 108.442 173.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.57 -27.44 25.52 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 128.417 2.687 . . . . 0.0 111.435 -169.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.26 -14.03 34.14 Favored 'General case' 0 C--N 1.365 1.268 0 C-N-CA 125.483 1.513 . . . . 0.0 111.511 172.106 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.23 -36.71 14.59 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 126.949 2.1 . . . . 0.0 111.189 -179.589 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.56 -20.24 65.97 Favored 'General case' 0 C--N 1.366 1.294 0 C-N-CA 125.079 1.352 . . . . 0.0 114.08 -176.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.44 -16.4 34.95 Favored 'General case' 0 C--N 1.361 1.075 0 C-N-CA 126.011 1.724 . . . . 0.0 111.519 171.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -81.95 -31.46 31.24 Favored 'General case' 0 C--N 1.369 1.448 0 O-C-N 120.69 -1.257 . . . . 0.0 109.329 179.612 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -85.78 2.48 45.45 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 125.01 1.324 . . . . 0.0 112.074 175.024 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.54 -37.54 13.79 Favored 'General case' 0 C--N 1.367 1.348 0 C-N-CA 126.283 1.833 . . . . 0.0 110.762 163.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -86.44 -45.31 11.27 Favored 'General case' 0 C--N 1.376 1.732 0 C-N-CA 125.064 1.346 . . . . 0.0 111.357 -174.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -64.86 -10.3 27.41 Favored 'General case' 0 C--N 1.371 1.53 0 C-N-CA 130.416 3.486 . . . . 0.0 112.728 177.46 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.66 -30.79 59.53 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 126.515 1.926 . . . . 0.0 112.369 178.179 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.7 t -91.14 -21.62 21.08 Favored 'General case' 0 C--N 1.362 1.119 0 C-N-CA 125.596 1.558 . . . . 0.0 112.974 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -69.01 -22.53 64.07 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 126.336 1.855 . . . . 0.0 114.608 -168.225 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 . . . . . 0 C--N 1.361 1.079 0 C-N-CA 127.254 2.221 . . . . 0.0 112.401 172.669 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.7 m . . . . . 0 CA--C 1.488 -1.412 1 N-CA-C 99.455 -4.276 . . . . 0.0 99.455 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -64.02 -20.83 66.2 Favored 'General case' 0 C--N 1.372 1.558 0 C-N-CA 128.283 2.633 . . . . 0.0 113.796 -179.05 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -76.53 -17.23 59.36 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 128.264 2.625 . . . . 0.0 111.454 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.18 -16.74 15.63 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 124.841 1.256 . . . . 0.0 108.687 174.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.83 -33.42 19.85 Favored 'General case' 0 C--N 1.369 1.442 0 C-N-CA 126.319 1.847 . . . . 0.0 110.982 179.496 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -71.57 -41.01 69.57 Favored 'General case' 0 C--N 1.366 1.292 0 C-N-CA 128.121 2.568 . . . . 0.0 110.407 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.29 -15.01 60.98 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 128.404 2.682 . . . . 0.0 111.966 -179.08 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.53 -20.72 22.34 Favored 'General case' 0 C--N 1.365 1.281 0 C-N-CA 125.724 1.61 . . . . 0.0 112.42 175.056 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -88.85 -33.34 17.4 Favored 'General case' 0 C--N 1.368 1.401 0 O-C-N 120.772 -1.205 . . . . 0.0 111.368 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -85.6 2.3 45.63 Favored 'General case' 0 C--N 1.362 1.148 0 C-N-CA 124.333 1.053 . . . . 0.0 111.468 175.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.62 -37.75 13.59 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 126.829 2.052 . . . . 0.0 111.062 173.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -89.96 -21.29 22.51 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 124.25 1.02 . . . . 0.0 111.79 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -61.4 -36.31 79.93 Favored 'General case' 0 C--N 1.366 1.302 0 C-N-CA 125.14 1.376 . . . . 0.0 113.949 176.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.62 -18.82 62.19 Favored 'General case' 0 C--N 1.369 1.421 0 C-N-CA 125.819 1.648 . . . . 0.0 115.002 178.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.4 m -90.99 -17.8 25.69 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 125.451 1.501 . . . . 0.0 111.113 170.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -89.52 -32.08 17.34 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 126.707 2.003 . . . . 0.0 110.242 -173.214 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 . . . . . 0 C--N 1.365 1.278 0 O-C-N 120.812 -1.18 . . . . 0.0 111.591 170.751 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 65.1 m . . . . . 0 CA--C 1.481 -1.705 0 N-CA-C 102.173 -3.269 . . . . 0.0 102.173 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -65.97 -22.67 66.49 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 127.989 2.515 . . . . 0.0 113.486 -165.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -62.77 -30.62 71.59 Favored 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 127.543 2.337 . . . . 0.0 114.967 170.067 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -92.59 -40.77 10.59 Favored 'General case' 0 C--N 1.361 1.102 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -81.03 -21.19 40.35 Favored 'General case' 0 C--N 1.361 1.07 0 C-N-CA 125.864 1.666 . . . . 0.0 113.164 -174.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -82.36 -40.11 21.82 Favored 'General case' 0 C--N 1.365 1.259 0 C-N-CA 126.751 2.021 . . . . 0.0 112.458 170.619 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.4 -34.84 73.01 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 123.894 0.878 . . . . 0.0 112.831 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.6 -14.76 61.69 Favored 'General case' 0 C--N 1.363 1.192 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 173.28 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -79.93 -28.6 39.69 Favored 'General case' 0 C--N 1.363 1.166 0 C-N-CA 127.104 2.162 . . . . 0.0 112.095 -174.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -75.61 -7.98 55.64 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 128.535 2.734 . . . . 0.0 112.948 -172.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.77 -36.44 14.27 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 126.604 1.962 . . . . 0.0 112.047 178.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.58 -43.62 10.08 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 125.553 1.541 . . . . 0.0 110.635 176.286 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -71.91 -0.74 12.14 Favored 'General case' 0 C--N 1.372 1.575 0 C-N-CA 125.372 1.469 . . . . 0.0 113.547 -174.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.08 -26.62 25.2 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 127.866 2.466 . . . . 0.0 110.541 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.12 -13.53 38.29 Favored 'General case' 0 C--N 1.363 1.174 0 C-N-CA 125.363 1.465 . . . . 0.0 112.509 173.345 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.2 mttp -86.29 -16.18 38.33 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 127.753 2.421 . . . . 0.0 113.486 -175.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 . . . . . 0 C--N 1.354 0.783 0 C-N-CA 124.847 1.259 . . . . 0.0 111.981 168.387 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.7 m . . . . . 0 CA--C 1.498 -1.051 0 N-CA-C 101.97 -3.344 . . . . 0.0 101.97 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -61.26 -20.23 62.62 Favored 'General case' 0 C--N 1.367 1.358 0 C-N-CA 129.629 3.171 . . . . 0.0 114.956 -178.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -64.35 -28.15 69.5 Favored 'General case' 0 C--N 1.359 1.017 0 C-N-CA 128.535 2.734 . . . . 0.0 114.133 166.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -100.14 -27.39 13.56 Favored 'General case' 0 CA--C 1.492 -1.267 0 O-C-N 120.767 -1.208 . . . . 0.0 109.735 -175.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -75.73 -32.52 60.05 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 128.143 2.577 . . . . 0.0 111.183 177.379 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.62 -35.82 33.5 Favored 'General case' 0 C--N 1.368 1.401 0 C-N-CA 125.922 1.689 . . . . 0.0 111.442 171.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.52 -28.6 56.44 Favored 'General case' 0 C--N 1.37 1.461 0 C-N-CA 124.408 1.083 . . . . 0.0 112.861 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.49 -21.17 63.7 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 126.944 2.098 . . . . 0.0 114.13 167.33 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.9 tttt -89.83 -17.47 28.04 Favored 'General case' 0 C--N 1.36 1.023 0 C-N-CA 126.005 1.722 . . . . 0.0 110.431 -171.626 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -81.63 -10.35 59.44 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 126.835 2.054 . . . . 0.0 111.509 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.19 -27.81 21.59 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 126.026 1.731 . . . . 0.0 112.288 -173.079 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -90.96 -35.15 14.86 Favored 'General case' 0 CA--C 1.498 -1.046 0 C-N-CA 127.255 2.222 . . . . 0.0 111.003 175.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 -87.05 -17.62 32.49 Favored 'General case' 0 CA--C 1.485 -1.52 0 C-N-CA 125.594 1.558 . . . . 0.0 109.624 -166.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.93 -37.26 76.28 Favored 'General case' 0 C--N 1.368 1.407 0 C-N-CA 127.014 2.126 . . . . 0.0 115.165 175.16 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.0 t -90.86 -6.18 54.56 Favored 'General case' 0 C--N 1.368 1.394 0 O-C-N 121.248 -0.908 . . . . 0.0 113.273 168.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -92.99 0.2 57.35 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 126.091 1.756 . . . . 0.0 113.143 172.244 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 . . . . . 0 C--N 1.355 0.845 0 O-C-N 119.798 -1.814 . . . . 0.0 112.471 -163.298 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.4 m . . . . . 0 CA--C 1.503 -0.863 0 CA-C-O 120.951 0.405 . . . . 0.0 111.28 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -82.11 -28.93 31.98 Favored 'General case' 0 C--N 1.361 1.104 0 CA-C-O 125.278 2.466 . . . . 0.0 110.039 175.184 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -92.61 -16.74 25.27 Favored 'General case' 0 N--CA 1.444 -0.757 1 C-N-CA 132.052 4.141 . . . . 0.0 106.918 -167.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.89 -31.55 19.42 Favored 'General case' 0 C--N 1.363 1.18 0 C-N-CA 127.355 2.262 . . . . 0.0 110.398 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.24 -42.01 16.32 Favored 'General case' 0 C--N 1.36 1.06 0 C-N-CA 127.543 2.337 . . . . 0.0 109.243 -179.573 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -88.33 -1.29 57.94 Favored 'General case' 0 C--N 1.363 1.169 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 -170.125 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.6 -11.42 40.03 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 126.541 1.936 . . . . 0.0 113.427 173.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.54 -29.35 17.93 Favored 'General case' 0 C--N 1.36 1.031 0 O-C-N 120.105 -1.622 . . . . 0.0 111.651 176.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.8 mttm -90.91 -10.53 42.2 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 128.731 2.812 . . . . 0.0 113.141 -176.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.6 ' HA ' ' HB2' ' A' ' 22' ' ' ASN 0.273 52.0 p30 -32.93 -26.26 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.831 1 C-N-CA 133.381 4.672 . . . . 0.0 121.669 -178.114 . . . . . . . . 4 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.16 -33.48 24.23 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 126.225 1.81 . . . . 0.0 110.832 175.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -89.6 -14.12 35.69 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 125.917 1.687 . . . . 0.0 109.575 175.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.6 ' HB2' ' HA ' ' A' ' 19' ' ' ASP . 16.4 t30 -64.21 -18.38 64.46 Favored 'General case' 0 C--N 1.376 1.737 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 -176.523 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.47 -36.48 79.03 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 116.945 2.202 . . . . 0.0 116.945 173.289 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . 0.282 0.4 OUTLIER -90.92 -29.38 17.49 Favored 'General case' 0 C--N 1.368 1.384 0 O-C-N 120.996 -1.065 . . . . 0.0 113.333 174.298 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -50.9 -25.31 4.42 Favored 'General case' 0 C--N 1.368 1.405 0 C-N-CA 129.291 3.037 . . . . 0.0 118.717 173.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 . . . . . 0 C--N 1.352 0.708 0 C-N-CA 129.413 3.085 . . . . 0.0 114.059 -168.746 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 . . . . . 0 N--CA 1.482 1.147 0 N-CA-C 103.762 -2.681 . . . . 0.0 103.762 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -131.95 51.38 2.15 Favored 'General case' 0 C--N 1.364 1.236 0 CA-C-N 119.752 1.16 . . . . 0.0 108.342 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.49 ' HD1' ' H ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -70.48 -94.29 0.01 OUTLIER 'General case' 0 C--N 1.356 0.888 0 C-N-CA 131.0 3.72 . . . . 0.0 114.268 -169.929 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -132.12 103.43 6.25 Favored 'General case' 0 N--CA 1.437 -1.117 0 C-N-CA 128.045 2.538 . . . . 0.0 104.682 -175.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -157.7 -179.94 8.63 Favored 'General case' 0 N--CA 1.43 -1.436 1 N-CA-C 96.652 -5.314 . . . . 0.0 96.652 175.313 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.12 106.73 18.68 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 125.432 1.493 . . . . 0.0 108.655 171.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -88.99 -14.23 37.01 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 126.102 1.761 . . . . 0.0 110.382 -174.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -82.9 -23.24 33.66 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 126.588 1.955 . . . . 0.0 112.354 173.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.91 87.98 3.25 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 125.394 1.478 . . . . 0.0 109.2 172.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.9 m -173.21 -173.06 0.87 Allowed 'General case' 0 CA--C 1.492 -1.282 1 N-CA-C 99.058 -4.423 . . . . 0.0 99.058 -175.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.18 -0.5 9.9 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 127.19 2.196 . . . . 0.0 114.653 -176.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -83.05 -22.33 33.55 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 128.61 2.764 . . . . 0.0 111.087 171.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.65 -21.99 16.15 Favored 'General case' 0 C--N 1.367 1.351 0 O-C-N 121.339 -0.851 . . . . 0.0 109.989 170.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -80.56 -37.87 30.6 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 126.478 1.911 . . . . 0.0 111.932 -175.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.32 -34.39 25.69 Favored 'General case' 0 C--N 1.369 1.455 0 C-N-CA 123.552 0.741 . . . . 0.0 111.898 -177.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.12 -11.61 59.98 Favored 'General case' 0 C--N 1.361 1.076 0 C-N-CA 127.023 2.129 . . . . 0.0 112.011 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.63 -18.17 25.6 Favored 'General case' 0 C--N 1.357 0.922 0 C-N-CA 127.021 2.128 . . . . 0.0 112.544 168.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -90.29 -43.94 10.03 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 124.054 0.942 . . . . 0.0 109.165 -175.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -89.94 16.5 8.13 Favored 'General case' 0 C--N 1.361 1.087 0 O-C-N 120.645 -1.285 . . . . 0.0 111.047 176.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.82 -36.45 14.23 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 128.497 2.719 . . . . 0.0 113.171 163.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -82.34 -30.09 30.62 Favored 'General case' 0 C--N 1.385 2.121 0 C-N-CA 125.641 1.576 . . . . 0.0 110.32 -177.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -67.93 -23.04 65.03 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 128.274 2.63 . . . . 0.0 112.458 -161.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.35 -30.96 38.02 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 125.003 1.321 . . . . 0.0 112.336 175.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.3 m -90.3 -13.13 35.86 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 126.059 1.744 . . . . 0.0 112.162 177.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.3 mmtm -72.31 -42.37 65.52 Favored 'General case' 0 C--N 1.367 1.35 0 C-N-CA 125.729 1.611 . . . . 0.0 112.004 165.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -70.95 -59.28 2.87 Favored 'General case' 0 C--N 1.367 1.356 0 C-N-CA 125.05 1.34 . . . . 0.0 112.547 168.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.68 44.82 1.23 Allowed 'General case' 0 C--N 1.364 1.199 0 O-C-N 120.233 -1.542 . . . . 0.0 112.517 -177.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -90.15 -39.61 12.74 Favored 'General case' 0 C--N 1.368 1.388 0 C-N-CA 130.899 3.68 . . . . 0.0 108.324 165.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -67.49 -9.26 40.6 Favored 'General case' 0 C--N 1.375 1.702 0 C-N-CA 128.697 2.799 . . . . 0.0 115.602 -150.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.14 -23.3 21.38 Favored 'General case' 0 C--N 1.359 1.01 0 C-N-CA 124.795 1.238 . . . . 0.0 111.93 172.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.59 -67.49 0.85 Allowed 'General case' 0 C--N 1.363 1.18 0 C-N-CA 125.97 1.708 . . . . 0.0 110.364 171.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.294 9.5 tptp 82.66 67.37 0.02 OUTLIER 'General case' 0 C--N 1.361 1.075 0 C-N-CA 127.847 2.459 . . . . 0.0 113.144 178.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -85.64 36.86 0.67 Allowed 'General case' 0 C--N 1.359 0.979 0 O-C-N 119.118 -2.239 . . . . 0.0 114.661 -168.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.75 -37.96 12.67 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 129.477 3.111 . . . . 0.0 109.246 151.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.1 m -117.28 11.59 7.31 Favored 'Isoleucine or valine' 0 C--N 1.367 1.362 0 C-N-CA 124.747 1.219 . . . . 0.0 109.35 -164.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.463 ' O ' HD22 ' A' ' 37' ' ' LEU . 40.4 t30 -143.22 147.74 35.33 Favored 'General case' 0 N--CA 1.441 -0.899 1 N-CA-C 98.401 -4.666 . . . . 0.0 98.401 170.534 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.463 HD22 ' O ' ' A' ' 36' ' ' ASN . 0.8 OUTLIER -159.25 42.69 0.23 Allowed 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 101.666 -3.457 . . . . 0.0 101.666 178.475 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 46.4 mttm . . . . . 0 C--O 1.26 1.609 0 N-CA-C 105.803 -1.925 . . . . 0.0 105.803 -179.513 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 N--CA 1.5 2.055 1 N-CA-C 122.444 4.239 . . . . 0.0 122.444 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.31 120.29 7.68 Favored 'General case' 0 CA--C 1.5 -0.945 0 CA-C-N 123.005 2.639 . . . . 0.0 104.994 175.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -152.75 3.42 0.33 Allowed 'General case' 0 C--N 1.362 1.116 0 C-N-CA 124.138 0.975 . . . . 0.0 110.883 -172.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? 98.36 146.41 0.02 OUTLIER 'General case' 0 C--N 1.366 1.318 0 C-N-CA 130.193 3.397 . . . . 0.0 108.247 -163.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 75.68 1.57 3.59 Favored 'General case' 0 C--N 1.372 1.553 0 C-N-CA 127.953 2.501 . . . . 0.0 114.923 173.119 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.09 62.05 6.85 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 129.16 2.984 . . . . 0.0 111.685 -168.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -100.32 152.77 19.93 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 131.532 3.933 . . . . 0.0 108.218 172.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -123.85 34.13 5.14 Favored 'General case' 0 C--N 1.36 1.034 0 C-N-CA 125.234 1.413 . . . . 0.0 111.037 -173.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.22 -6.45 24.2 Favored 'General case' 0 C--N 1.344 0.332 0 C-N-CA 125.321 1.448 . . . . 0.0 113.156 -178.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.316 4.7 m 64.86 31.16 11.76 Favored 'General case' 0 C--N 1.368 1.37 0 C-N-CA 130.814 3.646 . . . . 0.0 116.143 177.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -100.9 -24.56 14.33 Favored 'General case' 0 CA--C 1.505 -0.773 0 C-N-CA 127.936 2.494 . . . . 0.0 109.827 171.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -101.29 -47.05 4.84 Favored 'General case' 0 CA--C 1.495 -1.167 0 C-N-CA 128.11 2.564 . . . . 0.0 109.076 -175.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.67 -17.26 27.13 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 127.397 2.279 . . . . 0.0 111.391 -160.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -90.88 -31.27 16.49 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 129.294 3.037 . . . . 0.0 108.434 173.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -87.35 -30.2 20.97 Favored 'General case' 0 C--N 1.366 1.301 0 C-N-CA 127.367 2.267 . . . . 0.0 110.586 -174.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.43 -15.16 63.52 Favored 'General case' 0 C--N 1.362 1.112 0 C-N-CA 126.36 1.864 . . . . 0.0 113.845 175.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.68 -15.66 29.95 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 128.234 2.614 . . . . 0.0 114.003 171.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.5 mmtm -90.5 -15.06 31.48 Favored 'General case' 0 C--N 1.369 1.416 0 C-N-CA 125.508 1.523 . . . . 0.0 111.758 -177.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.555 ' HA ' ' HB2' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -63.63 0.43 0.78 Allowed 'General case' 0 C--N 1.352 0.704 0 C-N-CA 129.72 3.208 . . . . 0.0 118.231 -163.645 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.4 -39.26 12.09 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 127.87 2.468 . . . . 0.0 112.261 167.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -84.82 -17.96 36.44 Favored 'General case' 0 C--N 1.379 1.863 0 C-N-CA 129.593 3.157 . . . . 0.0 108.535 -176.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.555 ' HB2' ' HA ' ' A' ' 19' ' ' ASP . 1.7 t30 -74.65 -16.31 60.78 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 129.126 2.97 . . . . 0.0 115.078 -171.093 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.06 -50.98 51.8 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 170.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.7 t -91.79 8.44 37.11 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 124.9 1.28 . . . . 0.0 113.216 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -82.11 -23.87 35.46 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 127.293 2.237 . . . . 0.0 110.779 -177.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.1 tp10 -90.03 -33.54 16.3 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-O 122.664 1.221 . . . . 0.0 112.161 -178.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.72 -31.04 59.48 Favored 'General case' 0 C--N 1.357 0.904 0 C-N-CA 126.104 1.761 . . . . 0.0 112.729 -176.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 62.8 tt0 -58.4 -62.31 1.94 Allowed 'General case' 0 C--N 1.361 1.087 0 C-N-CA 127.986 2.515 . . . . 0.0 116.641 -175.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -65.81 -29.09 69.52 Favored 'General case' 0 C--N 1.381 1.975 0 C-N-CA 127.342 2.257 . . . . 0.0 111.621 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.18 -45.79 13.48 Favored 'General case' 0 N--CA 1.441 -0.895 0 C-N-CA 128.647 2.779 . . . . 0.0 112.33 -172.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.2 31.41 1.12 Allowed 'General case' 0 C--N 1.361 1.073 0 C-N-CA 126.603 1.961 . . . . 0.0 111.533 171.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -100.13 -84.75 0.42 Allowed 'General case' 0 C--N 1.359 1.003 0 C-N-CA 127.168 2.187 . . . . 0.0 105.705 166.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -67.28 -29.81 69.52 Favored 'General case' 0 C--N 1.366 1.295 0 C-N-CA 127.306 2.242 . . . . 0.0 114.458 -174.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.75 3.74 54.42 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 116.289 1.959 . . . . 0.0 116.289 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 48.7 t -134.21 -63.91 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.22 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 -175.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . 0.258 6.9 p30 -101.06 -35.73 9.24 Favored 'General case' 0 C--N 1.364 1.222 0 O-C-N 122.026 -0.422 . . . . 0.0 110.623 -170.109 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . 0.3 0.3 OUTLIER 106.62 -1.42 0.01 OUTLIER 'General case' 0 C--N 1.353 0.753 0 C-N-CA 129.734 3.214 . . . . 0.0 111.875 170.102 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? . . . . . 0 C--O 1.268 2.027 0 N-CA-C 101.136 -3.653 . . . . 0.0 101.136 178.06 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 . . . . . 0 CA--C 1.496 -1.108 0 N-CA-C 103.12 -2.919 . . . . 0.0 103.12 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.65 66.75 1.24 Allowed 'General case' 0 C--N 1.355 0.847 0 C-N-CA 125.502 1.521 . . . . 0.0 109.402 176.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.6 p90 -168.17 175.1 6.74 Favored 'General case' 0 C--N 1.355 0.81 1 N-CA-C 99.854 -4.128 . . . . 0.0 99.854 170.129 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.424 ' HB3' ' H ' ' A' ' 5' ' ' LYS . 42.6 mmtt -142.8 -127.3 0.09 Allowed 'General case' 0 C--N 1.354 0.78 0 N-CA-C 103.229 -2.878 . . . . 0.0 103.229 -175.323 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.424 ' H ' ' HB3' ' A' ' 4' ' ' LYS . 44.2 mttm -120.33 28.52 7.98 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 104.956 -2.239 . . . . 0.0 104.956 164.458 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.1 135.91 33.45 Favored 'General case' 0 C--N 1.362 1.119 0 C-N-CA 128.421 2.688 . . . . 0.0 104.758 153.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.72 -24.45 15.04 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 126.764 2.026 . . . . 0.0 111.405 -164.194 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 170.26 -148.72 0.0 OUTLIER 'General case' 0 N--CA 1.439 -0.988 1 N-CA-C 97.995 -4.817 . . . . 0.0 97.995 -167.587 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -95.74 -103.59 0.16 Allowed 'General case' 0 C--N 1.361 1.093 0 C-N-CA 126.541 1.937 . . . . 0.0 108.447 174.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.2 m -149.93 46.94 0.93 Allowed 'General case' 0 CA--C 1.5 -0.975 0 O-C-N 119.109 -2.245 . . . . 0.0 108.797 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -92.39 -18.2 23.61 Favored 'General case' 0 C--N 1.361 1.087 0 C-N-CA 127.19 2.196 . . . . 0.0 109.739 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -100.42 -7.72 24.02 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 129.549 3.14 . . . . 0.0 107.981 -169.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -99.39 -14.11 19.29 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 127.106 2.163 . . . . 0.0 110.198 -176.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -84.33 -35.02 23.55 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 126.192 1.797 . . . . 0.0 109.779 178.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.68 -26.57 25.88 Favored 'General case' 0 C--N 1.356 0.871 0 O-C-N 120.359 -1.463 . . . . 0.0 109.679 -175.463 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.11 -6.69 52.35 Favored 'General case' 0 C--N 1.362 1.113 0 C-N-CA 126.707 2.003 . . . . 0.0 113.494 169.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.49 -27.65 19.08 Favored 'General case' 0 C--N 1.366 1.29 0 C-N-CA 124.401 1.08 . . . . 0.0 109.971 167.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -81.67 -35.99 29.27 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 126.021 1.728 . . . . 0.0 112.291 -172.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -90.07 2.97 54.63 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 124.928 1.291 . . . . 0.0 111.251 176.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.75 -53.51 4.38 Favored 'General case' 0 C--N 1.361 1.108 0 C-N-CA 126.482 1.913 . . . . 0.0 109.659 161.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -61.09 -39.35 89.59 Favored 'General case' 0 C--N 1.386 2.161 0 C-N-CA 128.159 2.584 . . . . 0.0 113.548 -179.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -62.89 -13.02 29.14 Favored 'General case' 0 C--N 1.37 1.493 0 C-N-CA 127.046 2.138 . . . . 0.0 116.018 -178.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.15 -28.89 57.57 Favored 'General case' 0 C--N 1.356 0.891 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 173.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.1 m -90.83 -30.98 16.65 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 125.83 1.652 . . . . 0.0 113.494 176.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -60.76 -8.53 3.07 Favored 'General case' 0 C--N 1.362 1.128 0 C-N-CA 129.993 3.317 . . . . 0.0 116.527 -173.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -78.93 -69.87 0.54 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 127.305 2.242 . . . . 0.0 112.208 171.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.17 -27.28 19.68 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 126.847 2.059 . . . . 0.0 112.708 -167.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -89.84 -13.38 36.64 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 124.802 1.241 . . . . 0.0 109.806 -177.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -89.44 -27.06 20.64 Favored 'General case' 0 C--N 1.361 1.084 0 CA-C-O 122.092 0.949 . . . . 0.0 110.472 172.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.52 -42.46 22.42 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 125.771 1.628 . . . . 0.0 110.935 174.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.72 40.72 0.95 Allowed 'General case' 0 C--N 1.367 1.366 0 C-N-CA 126.17 1.788 . . . . 0.0 112.031 172.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -135.43 -87.98 0.35 Allowed 'General case' 0 CA--C 1.486 -1.5 0 N-CA-C 104.841 -2.281 . . . . 0.0 104.841 169.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -80.38 -26.17 38.73 Favored 'General case' 0 C--N 1.365 1.257 0 O-C-N 121.922 -0.486 . . . . 0.0 111.636 -159.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.36 14.48 14.47 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 124.771 1.228 . . . . 0.0 112.831 175.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.5 t -122.92 -68.03 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.361 1.069 0 C-N-CA 125.895 1.678 . . . . 0.0 107.956 177.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -104.17 -33.46 8.72 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 121.066 -1.021 . . . . 0.0 111.672 -156.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 78.13 25.11 0.64 Allowed 'General case' 0 C--N 1.365 1.278 0 C-N-CA 128.225 2.61 . . . . 0.0 110.852 169.33 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.5 mttp . . . . . 0 C--O 1.262 1.75 0 C-N-CA 127.176 2.19 . . . . 0.0 105.097 -171.758 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.428 ' OE1' ' HD3' ' A' ' 5' ' ' LYS . 34.7 mt-10 . . . . . 0 N--CA 1.492 1.674 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.2 -14.15 25.88 Favored 'General case' 0 C--N 1.363 1.178 0 C-N-CA 124.953 1.301 . . . . 0.0 111.388 173.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -150.25 159.49 44.4 Favored 'General case' 0 N--CA 1.442 -0.83 1 N-CA-C 98.393 -4.669 . . . . 0.0 98.393 159.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.254 8.2 mmpt? 37.23 -135.3 0.07 Allowed 'General case' 0 C--N 1.367 1.353 0 C-N-CA 131.531 3.932 . . . . 0.0 117.336 172.188 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.428 ' HD3' ' OE1' ' A' ' 1' ' ' GLU 0.341 36.8 mtpt 61.18 114.58 0.02 OUTLIER 'General case' 0 C--N 1.36 1.044 0 C-N-CA 128.956 2.902 . . . . 0.0 117.833 178.52 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.43 131.81 35.98 Favored 'General case' 0 C--N 1.361 1.096 0 C-N-CA 125.227 1.411 . . . . 0.0 107.939 174.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -101.14 -170.41 1.84 Allowed 'General case' 0 C--N 1.361 1.097 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 177.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -117.61 53.44 0.93 Allowed 'General case' 0 CA--C 1.5 -0.944 0 CA-C-O 122.931 1.348 . . . . 0.0 107.494 173.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.55 -123.36 0.16 Allowed 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 105.677 -1.972 . . . . 0.0 105.677 165.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.5 m -156.02 62.38 0.57 Allowed 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 102.117 -3.29 . . . . 0.0 102.117 171.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.7 -16.35 28.67 Favored 'General case' 0 C--N 1.363 1.178 0 C-N-CA 125.658 1.583 . . . . 0.0 109.553 173.198 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -71.75 -42.48 67.18 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 127.793 2.437 . . . . 0.0 111.547 -171.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.42 -6.15 59.37 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 126.109 1.763 . . . . 0.0 111.984 -178.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -90.46 -42.22 10.99 Favored 'General case' 0 C--N 1.359 1.006 0 C-N-CA 128.318 2.647 . . . . 0.0 109.427 172.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.6 -43.53 18.52 Favored 'General case' 0 C--N 1.362 1.114 0 C-N-CA 126.835 2.054 . . . . 0.0 111.76 -176.251 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.85 -15.61 61.61 Favored 'General case' 0 C--N 1.37 1.471 0 C-N-CA 126.507 1.923 . . . . 0.0 112.866 -177.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.09 -24.49 30.32 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 128.078 2.551 . . . . 0.0 112.223 173.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -91.19 -24.8 19.81 Favored 'General case' 0 C--N 1.373 1.623 0 C-N-CA 124.937 1.295 . . . . 0.0 112.601 -178.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -88.13 16.7 5.8 Favored 'General case' 0 C--N 1.363 1.175 0 O-C-N 120.769 -1.207 . . . . 0.0 111.205 176.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.71 -36.63 14.21 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 126.196 1.798 . . . . 0.0 110.658 169.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -90.97 -47.0 7.83 Favored 'General case' 0 C--N 1.37 1.465 0 C-N-CA 127.713 2.405 . . . . 0.0 107.808 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -68.13 -10.01 50.84 Favored 'General case' 0 C--N 1.373 1.603 0 C-N-CA 128.335 2.654 . . . . 0.0 114.418 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.7 -41.9 64.78 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 124.818 1.247 . . . . 0.0 112.537 174.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.5 m -91.26 -16.63 27.28 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 124.345 1.058 . . . . 0.0 113.424 -177.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm -64.09 -24.28 67.64 Favored 'General case' 0 C--N 1.365 1.26 0 C-N-CA 126.276 1.83 . . . . 0.0 115.728 -178.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -61.83 -33.99 75.14 Favored 'General case' 0 C--N 1.372 1.562 0 C-N-CA 128.474 2.71 . . . . 0.0 113.44 166.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.27 -17.68 25.58 Favored 'General case' 0 C--N 1.364 1.214 0 C-N-CA 125.692 1.597 . . . . 0.0 111.022 -177.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -89.89 -42.84 10.99 Favored 'General case' 0 C--N 1.358 0.938 0 C-N-CA 125.133 1.373 . . . . 0.0 108.671 -164.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.16 -19.54 24.13 Favored 'General case' 0 C--N 1.37 1.485 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 173.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.91 -23.9 44.47 Favored 'General case' 0 C--N 1.363 1.183 0 O-C-N 119.607 -1.933 . . . . 0.0 111.315 175.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.483 ' HA ' ' O ' ' A' ' 36' ' ' ASN . . . -90.75 51.4 1.97 Allowed 'General case' 0 C--N 1.369 1.441 0 C-N-CA 127.158 2.183 . . . . 0.0 110.61 162.274 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.02 -45.59 0.08 Allowed 'General case' 0 N--CA 1.434 -1.231 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.93 -50.92 2.51 Favored 'General case' 0 C--N 1.385 2.124 0 C-N-CA 129.398 3.079 . . . . 0.0 116.717 -177.292 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.02 -80.03 0.35 Allowed 'General case' 0 C--N 1.361 1.108 0 C-N-CA 126.139 1.776 . . . . 0.0 112.692 166.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.6 t -158.62 -51.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.362 1.144 0 C-N-CA 129.028 2.931 . . . . 0.0 103.763 -177.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.483 ' O ' ' HA ' ' A' ' 31' ' ' ALA . 21.6 t-20 -136.76 -87.19 0.31 Allowed 'General case' 0 C--N 1.36 1.022 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 -171.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 67.4 41.57 2.4 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 125.151 1.381 . . . . 0.0 113.699 178.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.26 1.643 0 O-C-N 119.923 -1.736 . . . . 0.0 108.638 -170.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.501 -0.922 0 N-CA-C 101.794 -3.41 . . . . 0.0 101.794 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -166.09 62.66 0.1 Allowed 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 105.07 -2.196 . . . . 0.0 105.07 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -134.77 -147.19 0.27 Allowed 'General case' 0 C--N 1.351 0.641 0 N-CA-C 105.021 -2.215 . . . . 0.0 105.021 175.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -156.29 119.21 4.16 Favored 'General case' 0 N--CA 1.437 -1.097 1 N-CA-C 99.038 -4.431 . . . . 0.0 99.038 -173.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.5 mmtt -129.81 172.56 11.53 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 105.563 -2.014 . . . . 0.0 105.563 -170.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.95 -130.92 0.11 Allowed 'General case' 0 C--N 1.367 1.345 0 C-N-CA 127.914 2.486 . . . . 0.0 112.269 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.7 ptpp? -100.77 88.94 3.71 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 126.348 1.859 . . . . 0.0 107.311 172.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.8 mp0 -118.75 -85.28 0.65 Allowed 'General case' 0 C--N 1.355 0.834 0 N-CA-C 102.783 -3.043 . . . . 0.0 102.783 171.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.91 84.84 7.57 Favored 'General case' 0 C--N 1.364 1.211 0 O-C-N 120.746 -1.221 . . . . 0.0 113.073 -162.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.9 m 176.06 -147.16 0.01 OUTLIER 'General case' 0 N--CA 1.435 -1.207 1 N-CA-C 97.64 -4.948 . . . . 0.0 97.64 -165.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -71.45 -26.39 62.7 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 127.036 2.134 . . . . 0.0 114.072 -167.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -76.08 -17.94 59.42 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 127.422 2.289 . . . . 0.0 113.38 173.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -95.19 -29.85 14.32 Favored 'General case' 0 C--N 1.362 1.123 0 O-C-N 120.727 -1.233 . . . . 0.0 109.067 170.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.5 -40.92 22.49 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 126.002 1.721 . . . . 0.0 111.463 -171.387 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.76 -28.45 36.44 Favored 'General case' 0 C--N 1.367 1.37 0 C-N-CA 125.339 1.456 . . . . 0.0 111.955 -179.461 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.27 -2.95 40.44 Favored 'General case' 0 C--N 1.367 1.341 0 C-N-CA 124.908 1.283 . . . . 0.0 113.861 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.36 -28.68 18.54 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 125.895 1.678 . . . . 0.0 111.819 167.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -90.36 -36.15 14.8 Favored 'General case' 0 C--N 1.362 1.139 0 C-N-CA 126.973 2.109 . . . . 0.0 111.164 -174.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.96 -8.83 59.55 Favored 'General case' 0 C--N 1.368 1.407 0 C-N-CA 125.604 1.562 . . . . 0.0 111.808 178.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.94 -31.87 25.37 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 127.777 2.431 . . . . 0.0 111.593 174.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.56 -25.66 20.1 Favored 'General case' 0 C--N 1.374 1.662 0 C-N-CA 124.402 1.081 . . . . 0.0 111.623 176.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -77.89 1.02 21.84 Favored 'General case' 0 C--N 1.368 1.398 0 C-N-CA 126.485 1.914 . . . . 0.0 113.169 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.27 -33.45 24.02 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 126.389 1.876 . . . . 0.0 112.172 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.2 t -90.98 -35.55 14.61 Favored 'General case' 0 C--N 1.368 1.394 0 C-N-CA 124.37 1.068 . . . . 0.0 110.313 173.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -52.18 -29.39 22.13 Favored 'General case' 0 C--N 1.365 1.274 0 N-CA-C 116.467 2.025 . . . . 0.0 116.467 -177.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -71.43 -18.35 62.33 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 129.984 3.313 . . . . 0.0 114.419 174.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.34 -51.13 5.58 Favored 'General case' 0 C--N 1.367 1.345 0 C-N-CA 126.576 1.95 . . . . 0.0 108.848 169.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -60.11 -40.48 89.81 Favored 'General case' 0 C--N 1.374 1.632 0 C-N-CA 126.647 1.979 . . . . 0.0 115.005 179.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . 0.272 5.4 pt-20 -90.09 -2.69 58.14 Favored 'General case' 0 C--N 1.369 1.434 0 O-C-N 120.463 -1.398 . . . . 0.0 113.526 176.162 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.58 -50.23 6.05 Favored 'General case' 0 C--N 1.369 1.433 0 CA-C-O 123.137 1.446 . . . . 0.0 109.061 168.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.69 51.0 2.08 Favored 'General case' 0 C--N 1.359 1.006 0 C-N-CA 126.459 1.904 . . . . 0.0 111.655 176.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -157.19 -59.61 0.09 Allowed 'General case' 0 N--CA 1.429 -1.521 0 N-CA-C 102.836 -3.024 . . . . 0.0 102.836 164.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . 0.27 50.3 mt-10 -80.73 -23.15 39.65 Favored 'General case' 0 C--N 1.366 1.287 0 N-CA-C 115.046 1.499 . . . . 0.0 115.046 -171.477 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.47 -35.05 14.56 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-N 122.055 2.207 . . . . 0.0 113.058 171.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.1 t -83.46 -21.54 8.75 Favored 'Isoleucine or valine' 0 C--N 1.359 1.001 0 C-N-CA 125.334 1.454 . . . . 0.0 111.66 -165.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -151.22 -34.67 0.14 Allowed 'General case' 0 CA--C 1.495 -1.154 0 CA-C-O 118.204 -0.903 . . . . 0.0 109.824 177.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 tp 83.78 19.38 0.19 Allowed 'General case' 0 C--N 1.371 1.52 0 C-N-CA 124.759 1.224 . . . . 0.0 110.448 172.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.5 pttm . . . . . 0 C--O 1.268 2.055 0 N-CA-C 104.816 -2.29 . . . . 0.0 104.816 -176.91 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 N--CA 1.504 2.247 0 N-CA-C 117.243 2.312 . . . . 0.0 117.243 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.82 -139.13 0.38 Allowed 'General case' 0 C--N 1.36 1.054 0 O-C-N 118.242 -2.786 . . . . 0.0 112.548 -169.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -174.72 169.16 3.6 Favored 'General case' 0 N--CA 1.439 -0.992 1 N-CA-C 97.206 -5.109 . . . . 0.0 97.206 167.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.464 ' HA ' ' HD3' ' A' ' 4' ' ' LYS . 66.0 mmtt -139.84 -79.82 0.3 Allowed 'General case' 0 CA--C 1.497 -1.084 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 163.161 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.0 mmtm -148.84 -84.28 0.1 Allowed 'General case' 0 C--N 1.355 0.826 0 N-CA-C 104.815 -2.291 . . . . 0.0 104.815 -173.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.7 -50.96 5.62 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 124.862 1.265 . . . . 0.0 112.668 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -101.33 -176.16 3.07 Favored 'General case' 0 C--N 1.362 1.119 0 C-N-CA 125.76 1.624 . . . . 0.0 108.702 171.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -103.12 -142.3 0.36 Allowed 'General case' 0 C--N 1.363 1.188 0 C-N-CA 125.714 1.606 . . . . 0.0 108.565 -176.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.67 -174.35 2.62 Favored 'General case' 0 C--N 1.365 1.24 0 C-N-CA 126.558 1.943 . . . . 0.0 107.884 -175.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.1 m -127.84 24.6 6.06 Favored 'General case' 0 CA--C 1.504 -0.799 0 C-N-CA 123.911 0.884 . . . . 0.0 109.799 -177.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -100.42 -38.64 8.33 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 124.841 1.256 . . . . 0.0 110.332 -168.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.7 -25.39 60.2 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 131.112 3.765 . . . . 0.0 110.69 -173.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.52 -16.84 31.62 Favored 'General case' 0 C--N 1.364 1.229 0 C-N-CA 128.135 2.574 . . . . 0.0 111.673 176.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -90.9 -49.87 6.19 Favored 'General case' 0 C--N 1.373 1.612 0 C-N-CA 125.044 1.338 . . . . 0.0 108.916 172.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -64.95 -33.2 75.47 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 125.356 1.462 . . . . 0.0 112.799 -169.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.64 -13.97 26.92 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 126.842 2.057 . . . . 0.0 115.837 169.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.92 -27.04 19.0 Favored 'General case' 0 C--N 1.365 1.274 0 C-N-CA 125.548 1.539 . . . . 0.0 113.117 171.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -90.07 -24.02 21.26 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 126.915 2.086 . . . . 0.0 111.004 178.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -79.24 5.9 11.14 Favored 'General case' 0 C--N 1.36 1.052 0 C-N-CA 127.262 2.225 . . . . 0.0 112.479 177.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.14 -34.02 16.02 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 127.308 2.243 . . . . 0.0 110.592 163.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -90.09 -32.14 16.83 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 125.333 1.453 . . . . 0.0 109.033 -174.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -77.23 -0.44 25.24 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 129.066 2.946 . . . . 0.0 113.487 167.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -90.44 -51.1 5.58 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 124.659 1.183 . . . . 0.0 109.992 169.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.4 p -90.71 12.64 18.48 Favored 'General case' 0 C--N 1.356 0.891 0 N-CA-C 115.649 1.722 . . . . 0.0 115.649 -178.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.54 -25.96 28.37 Favored 'General case' 0 C--N 1.363 1.162 0 O-C-N 120.373 -1.454 . . . . 0.0 110.512 178.097 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -90.99 25.71 2.35 Favored 'General case' 0 C--N 1.359 1.015 0 C-N-CA 127.204 2.202 . . . . 0.0 111.909 169.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.23 3.63 54.34 Favored 'General case' 0 C--N 1.363 1.166 0 C-N-CA 125.897 1.679 . . . . 0.0 111.227 164.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -70.12 -33.13 71.46 Favored 'General case' 0 C--N 1.374 1.668 0 C-N-CA 127.369 2.268 . . . . 0.0 112.223 -171.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -91.01 7.63 39.38 Favored 'General case' 0 C--N 1.362 1.14 0 N-CA-C 115.688 1.736 . . . . 0.0 115.688 165.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.15 -33.73 16.12 Favored 'General case' 0 C--N 1.366 1.321 0 O-C-N 120.221 -1.549 . . . . 0.0 108.618 168.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.41 36.69 0.07 Allowed 'General case' 0 C--N 1.363 1.185 0 C-N-CA 128.461 2.705 . . . . 0.0 114.264 172.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -125.24 -44.24 1.89 Allowed 'General case' 0 N--CA 1.438 -1.044 0 C-N-CA 129.218 3.007 . . . . 0.0 109.387 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -100.16 -16.98 17.61 Favored 'General case' 0 C--N 1.369 1.427 0 C-N-CA 124.174 0.99 . . . . 0.0 111.28 172.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.73 -38.98 12.69 Favored 'General case' 0 C--N 1.361 1.077 0 N-CA-C 114.444 1.275 . . . . 0.0 114.444 -177.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.0 t -108.64 -12.64 10.8 Favored 'Isoleucine or valine' 0 C--N 1.358 0.974 0 CA-C-O 122.757 1.265 . . . . 0.0 109.29 -165.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -160.47 -165.27 1.39 Allowed 'General case' 0 N--CA 1.434 -1.228 1 N-CA-C 98.161 -4.755 . . . . 0.0 98.161 178.024 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -171.68 56.06 0.03 OUTLIER 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 101.834 -3.395 . . . . 0.0 101.834 169.464 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.8 mttm . . . . . 0 C--O 1.263 1.766 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 178.853 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 CA--C 1.49 -1.344 1 N-CA-C 99.227 -4.36 . . . . 0.0 99.227 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 74.0 44.26 0.27 Allowed 'General case' 0 C--N 1.365 1.254 0 C-N-CA 125.401 1.481 . . . . 0.0 114.444 173.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -86.38 118.59 25.91 Favored 'General case' 0 C--N 1.368 1.403 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 -177.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -175.44 -171.5 0.49 Allowed 'General case' 0 N--CA 1.423 -1.789 1 N-CA-C 96.561 -5.348 . . . . 0.0 96.561 -159.01 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -134.94 84.92 2.14 Favored 'General case' 0 N--CA 1.428 -1.545 0 N-CA-C 102.687 -3.079 . . . . 0.0 102.687 168.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.02 -4.3 56.53 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 126.528 1.931 . . . . 0.0 111.815 177.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -100.66 160.05 14.67 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 128.891 2.876 . . . . 0.0 106.014 173.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . 0.31 7.8 tt0 94.61 46.0 0.0 OUTLIER 'General case' 0 C--N 1.372 1.579 0 C-N-CA 127.035 2.134 . . . . 0.0 110.127 -173.656 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.42 -45.2 5.39 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-N 112.15 -2.295 . . . . 0.0 113.927 -171.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.1 m 174.0 -177.83 0.09 Allowed 'General case' 0 CA--C 1.491 -1.3 1 N-CA-C 100.031 -4.062 . . . . 0.0 100.031 -172.08 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -51.03 -31.56 18.82 Favored 'General case' 0 C--N 1.368 1.383 0 C-N-CA 130.006 3.322 . . . . 0.0 114.857 175.353 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.23 -43.04 92.37 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 130.085 3.354 . . . . 0.0 115.196 171.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.99 -26.13 16.95 Favored 'General case' 0 CA--C 1.491 -1.315 0 C-N-CA 124.95 1.3 . . . . 0.0 108.31 -173.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.74 -24.72 35.93 Favored 'General case' 0 C--N 1.365 1.254 0 C-N-CA 124.638 1.175 . . . . 0.0 111.219 179.02 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.07 -38.19 13.74 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 125.257 1.423 . . . . 0.0 112.104 175.378 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.92 -25.77 53.32 Favored 'General case' 0 C--N 1.365 1.253 0 CA-C-O 122.171 0.986 . . . . 0.0 112.533 -174.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.07 -8.41 51.5 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 123.994 0.918 . . . . 0.0 111.519 176.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.4 tttm -82.62 -42.05 18.72 Favored 'General case' 0 C--N 1.362 1.149 0 C-N-CA 125.898 1.679 . . . . 0.0 109.188 -176.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -75.06 -31.91 61.37 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 127.705 2.402 . . . . 0.0 110.856 175.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.27 -28.63 18.68 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 125.566 1.547 . . . . 0.0 113.901 -173.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -90.13 -18.57 25.58 Favored 'General case' 0 C--N 1.37 1.499 0 CA-C-N 120.31 1.414 . . . . 0.0 112.106 172.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -79.6 -28.72 41.01 Favored 'General case' 0 C--N 1.366 1.287 0 CA-C-N 120.422 1.464 . . . . 0.0 112.131 -176.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.66 -27.34 63.96 Favored 'General case' 0 C--N 1.36 1.028 0 C-N-CA 124.841 1.256 . . . . 0.0 113.254 -176.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -90.93 -7.8 51.1 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 126.09 1.756 . . . . 0.0 112.977 173.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -91.01 -29.08 17.58 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 127.763 2.425 . . . . 0.0 110.992 173.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -76.2 -3.94 39.07 Favored 'General case' 0 C--N 1.372 1.555 0 C-N-CA 126.842 2.057 . . . . 0.0 112.061 172.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.72 -3.43 53.7 Favored 'General case' 0 C--N 1.359 1.022 0 C-N-CA 126.296 1.838 . . . . 0.0 113.593 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.23 -40.38 77.44 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 130.771 3.629 . . . . 0.0 114.01 -177.423 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -90.42 -22.97 21.17 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 126.813 2.045 . . . . 0.0 112.704 -174.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.26 -38.05 14.5 Favored 'General case' 0 C--N 1.36 1.054 0 C-N-CA 127.364 2.266 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.93 40.61 1.03 Allowed 'General case' 0 C--N 1.364 1.214 0 C-N-CA 126.41 1.884 . . . . 0.0 111.438 171.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.46 -90.44 0.55 Allowed 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 104.351 -2.462 . . . . 0.0 104.351 178.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -88.59 -7.65 56.06 Favored 'General case' 0 C--N 1.363 1.166 0 C-N-CA 126.19 1.796 . . . . 0.0 112.444 -161.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.13 -30.55 16.65 Favored 'General case' 0 C--N 1.355 0.84 0 C-N-CA 124.455 1.102 . . . . 0.0 112.828 170.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.1 t -108.02 -48.44 7.78 Favored 'Isoleucine or valine' 0 C--N 1.363 1.179 0 C-N-CA 124.082 0.953 . . . . 0.0 110.48 -162.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -111.64 -18.38 12.8 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 121.303 -0.873 . . . . 0.0 110.058 -176.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . 0.269 7.4 mp 86.91 5.22 0.35 Allowed 'General case' 0 C--N 1.36 1.044 0 C-N-CA 127.752 2.421 . . . . 0.0 112.836 165.656 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.264 1.867 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 -166.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 . . . . . 0 N--CA 1.486 1.332 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.91 -145.97 0.38 Allowed 'General case' 0 C--N 1.36 1.043 0 C-N-CA 124.828 1.251 . . . . 0.0 107.739 174.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -94.3 -156.3 0.49 Allowed 'General case' 0 C--N 1.36 1.037 0 C-N-CA 127.044 2.137 . . . . 0.0 105.766 171.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.83 70.35 0.86 Allowed 'General case' 0 CA--C 1.503 -0.832 0 N-CA-C 104.857 -2.275 . . . . 0.0 104.857 174.241 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.9 ptpp? -138.79 1.71 2.11 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 123.076 0.55 . . . . 0.0 110.279 166.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.93 177.88 6.17 Favored 'General case' 0 C--N 1.367 1.368 0 O-C-N 120.695 -1.253 . . . . 0.0 111.267 -176.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.69 -17.21 32.29 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 126.459 1.904 . . . . 0.0 110.629 177.247 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.63 113.72 24.73 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 104.129 -2.545 . . . . 0.0 104.129 175.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.82 -25.24 14.18 Favored 'General case' 0 C--N 1.357 0.931 0 C-N-CA 123.695 0.798 . . . . 0.0 110.945 172.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.7 m -175.73 -169.97 0.37 Allowed 'General case' 0 CA--C 1.493 -1.215 0 N-CA-C 101.063 -3.68 . . . . 0.0 101.063 176.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -56.53 -33.15 65.8 Favored 'General case' 0 C--N 1.373 1.625 0 C-N-CA 127.789 2.436 . . . . 0.0 114.556 -175.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -72.37 -10.01 59.23 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 129.86 3.264 . . . . 0.0 114.613 175.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.12 -27.37 12.6 Favored 'General case' 0 CA--C 1.502 -0.894 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 176.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -87.65 -30.69 20.24 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 126.212 1.805 . . . . 0.0 109.684 -173.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -83.28 -27.67 29.68 Favored 'General case' 0 C--N 1.365 1.25 0 C-N-CA 130.223 3.409 . . . . 0.0 110.791 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.93 -1.52 57.82 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 125.084 1.354 . . . . 0.0 112.911 174.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.81 -22.71 20.87 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 126.121 1.768 . . . . 0.0 111.502 164.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.8 mttp -87.17 -21.13 26.11 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 126.642 1.977 . . . . 0.0 111.088 -155.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -91.4 -8.73 47.1 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 127.22 2.208 . . . . 0.0 113.774 171.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.71 -28.09 18.55 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 125.369 1.468 . . . . 0.0 111.448 177.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.02 -35.64 25.64 Favored 'General case' 0 C--N 1.368 1.398 0 C-N-CA 125.078 1.351 . . . . 0.0 109.376 172.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 -78.53 13.19 1.68 Allowed 'General case' 0 C--N 1.364 1.227 0 C-N-CA 125.054 1.341 . . . . 0.0 114.39 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.6 -27.61 21.23 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 125.709 1.604 . . . . 0.0 112.035 168.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.2 p -90.41 -31.79 16.69 Favored 'General case' 0 C--N 1.369 1.436 0 CA-C-O 123.263 1.506 . . . . 0.0 110.16 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -82.88 24.76 0.72 Allowed 'General case' 0 C--N 1.355 0.811 0 C-N-CA 129.224 3.01 . . . . 0.0 112.273 175.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -89.67 -38.22 14.05 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 129.31 3.044 . . . . 0.0 106.961 163.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.03 -51.26 5.43 Favored 'General case' 0 C--N 1.365 1.245 0 C-N-CA 126.068 1.747 . . . . 0.0 111.193 172.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -71.74 10.85 0.59 Allowed 'General case' 0 C--N 1.372 1.547 0 C-N-CA 127.128 2.171 . . . . 0.0 115.443 -176.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -82.97 -20.57 34.93 Favored 'General case' 0 C--N 1.365 1.242 0 O-C-N 119.507 -1.995 . . . . 0.0 111.158 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.23 -16.16 55.39 Favored 'General case' 0 C--N 1.368 1.381 0 C-N-CA 124.266 1.027 . . . . 0.0 113.176 174.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.29 -69.04 0.76 Allowed 'General case' 0 C--N 1.374 1.674 0 C-N-CA 127.584 2.354 . . . . 0.0 111.08 167.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.9 tttt 78.22 50.22 0.04 OUTLIER 'General case' 0 C--N 1.37 1.462 0 C-N-CA 126.396 1.879 . . . . 0.0 115.038 164.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.98 20.33 5.89 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 128.814 2.845 . . . . 0.0 112.882 -158.417 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.1 -51.62 5.23 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 129.982 3.313 . . . . 0.0 110.51 163.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.8 m -123.23 26.66 3.27 Favored 'Isoleucine or valine' 0 C--N 1.361 1.093 0 CA-C-O 122.111 0.958 . . . . 0.0 109.539 -161.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 22.6 t30 -155.5 150.68 26.82 Favored 'General case' 0 N--CA 1.43 -1.434 1 N-CA-C 95.585 -5.709 . . . . 0.0 95.585 173.487 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 175.51 50.66 0.0 OUTLIER 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 102.289 -3.226 . . . . 0.0 102.289 -175.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.263 1.774 0 N-CA-C 100.937 -3.727 . . . . 0.0 100.937 169.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 . . . . . 0 N--CA 1.487 1.404 0 N-CA-C 104.782 -2.303 . . . . 0.0 104.782 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.48 74.24 9.37 Favored 'General case' 0 C--N 1.359 1.008 0 CA-C-N 121.121 1.782 . . . . 0.0 112.235 170.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -168.41 167.98 11.52 Favored 'General case' 0 C--N 1.356 0.877 1 N-CA-C 98.644 -4.576 . . . . 0.0 98.644 172.32 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -103.21 40.23 1.44 Allowed 'General case' 0 C--N 1.357 0.934 0 C-N-CA 125.753 1.621 . . . . 0.0 110.08 -165.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -104.64 -23.75 13.05 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 129.241 3.017 . . . . 0.0 105.918 -178.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.51 120.73 32.57 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 128.754 2.822 . . . . 0.0 106.028 160.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.4 ptmm? -101.5 -153.35 0.45 Allowed 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 127.749 2.42 . . . . 0.0 107.105 171.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -80.77 -24.59 38.52 Favored 'General case' 0 C--N 1.368 1.385 0 O-C-N 120.053 -1.655 . . . . 0.0 112.087 177.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.0 96.59 7.35 Favored 'General case' 0 C--N 1.36 1.063 0 N-CA-C 105.495 -2.039 . . . . 0.0 105.495 176.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.2 m 174.73 -150.45 0.01 OUTLIER 'General case' 0 CA--C 1.495 -1.15 1 N-CA-C 97.368 -5.049 . . . . 0.0 97.368 -160.365 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -71.08 -28.74 64.56 Favored 'General case' 0 C--N 1.36 1.028 0 C-N-CA 127.699 2.4 . . . . 0.0 112.418 -176.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -83.87 5.75 24.09 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 126.904 2.082 . . . . 0.0 113.497 175.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.61 -25.72 13.07 Favored 'General case' 0 C--N 1.365 1.245 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 158.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -86.85 -44.79 11.43 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 126.144 1.777 . . . . 0.0 109.436 -162.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.5 tp60 -65.04 -24.29 67.43 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 130.485 3.514 . . . . 0.0 112.839 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.09 -19.35 32.01 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 126.54 1.936 . . . . 0.0 111.916 174.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.76 -24.32 20.4 Favored 'General case' 0 C--N 1.371 1.519 0 O-C-N 121.147 -0.971 . . . . 0.0 110.394 170.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.7 mttp -77.87 -18.68 55.94 Favored 'General case' 0 C--N 1.368 1.401 0 C-N-CA 127.742 2.417 . . . . 0.0 111.699 -173.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -81.96 -26.62 33.8 Favored 'General case' 0 C--N 1.358 0.935 0 C-N-CA 126.287 1.835 . . . . 0.0 111.035 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.52 -29.76 23.96 Favored 'General case' 0 C--N 1.359 0.991 0 C-N-CA 125.574 1.55 . . . . 0.0 112.435 -177.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.97 -6.65 55.44 Favored 'General case' 0 C--N 1.36 1.054 0 C-N-CA 125.022 1.329 . . . . 0.0 112.352 171.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -85.14 -16.64 39.77 Favored 'General case' 0 C--N 1.37 1.48 0 C-N-CA 127.267 2.227 . . . . 0.0 111.63 176.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.0 -21.88 66.43 Favored 'General case' 0 C--N 1.361 1.077 0 N-CA-C 116.022 1.86 . . . . 0.0 116.022 177.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.9 m -91.06 -17.71 25.78 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 125.878 1.671 . . . . 0.0 113.7 172.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -90.78 -24.15 20.43 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 129.279 3.032 . . . . 0.0 111.556 -170.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -77.57 18.16 0.46 Allowed 'General case' 0 C--N 1.368 1.377 0 C-N-CA 127.141 2.176 . . . . 0.0 112.601 173.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.7 -27.2 19.13 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 128.742 2.817 . . . . 0.0 112.221 171.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -82.01 8.0 11.74 Favored 'General case' 0 C--N 1.375 1.691 0 C-N-CA 126.595 1.958 . . . . 0.0 114.045 -173.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.81 -30.02 35.92 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 127.502 2.321 . . . . 0.0 110.416 176.487 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.09 -19.38 43.79 Favored 'General case' 0 C--N 1.356 0.889 0 C-N-CA 127.426 2.29 . . . . 0.0 112.27 -175.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.69 -1.15 57.88 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 126.489 1.915 . . . . 0.0 110.722 171.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -129.5 -71.35 0.62 Allowed 'General case' 0 C--N 1.364 1.238 0 CA-C-O 121.957 0.884 . . . . 0.0 111.933 -171.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -100.96 6.49 43.58 Favored 'General case' 0 CA--C 1.506 -0.75 0 O-C-N 119.803 -1.81 . . . . 0.0 112.245 -165.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -92.52 -68.73 0.78 Allowed 'General case' 0 C--N 1.36 1.052 0 C-N-CA 125.313 1.445 . . . . 0.0 114.001 149.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.1 m -95.17 -4.38 10.43 Favored 'Isoleucine or valine' 0 C--N 1.363 1.176 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -156.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.409 ' HB3' ' H ' ' A' ' 37' ' ' LEU . 8.7 t-20 -119.93 -83.21 0.65 Allowed 'General case' 0 CA--C 1.503 -0.834 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 -163.254 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.409 ' H ' ' HB3' ' A' ' 36' ' ' ASN . 3.7 mm? 68.14 21.42 8.65 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 127.197 2.199 . . . . 0.0 114.346 178.239 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.258 1.529 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 173.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.491 -1.31 0 N-CA-C 103.468 -2.79 . . . . 0.0 103.468 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 174.42 176.66 0.15 Allowed 'General case' 0 N--CA 1.434 -1.257 1 N-CA-C 98.747 -4.538 . . . . 0.0 98.747 -170.544 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -128.31 81.65 2.04 Favored 'General case' 0 CA--C 1.505 -0.763 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 -171.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? 106.92 -48.26 0.0 OUTLIER 'General case' 0 C--N 1.368 1.389 0 C-N-CA 129.353 3.061 . . . . 0.0 107.096 -175.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.2 mttt 102.45 -157.08 0.0 OUTLIER 'General case' 0 C--N 1.363 1.181 1 C-N-CA 132.536 4.335 . . . . 0.0 105.981 -173.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.61 -179.18 5.28 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 127.338 2.255 . . . . 0.0 109.403 169.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -100.6 96.62 7.48 Favored 'General case' 0 N--CA 1.438 -1.059 0 N-CA-C 103.962 -2.607 . . . . 0.0 103.962 165.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -139.67 -115.12 0.14 Allowed 'General case' 0 C--N 1.359 0.999 0 N-CA-C 103.547 -2.76 . . . . 0.0 103.547 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.49 91.52 5.76 Favored 'General case' 0 C--N 1.373 1.624 0 C-N-CA 125.583 1.553 . . . . 0.0 110.066 178.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.5 t 165.2 -141.69 0.0 OUTLIER 'General case' 0 N--CA 1.439 -0.99 1 N-CA-C 98.389 -4.671 . . . . 0.0 98.389 -149.548 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.43 -31.36 63.79 Favored 'General case' 0 CA--C 1.487 -1.454 0 C-N-CA 129.673 3.189 . . . . 0.0 112.147 -163.372 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -86.11 -17.72 34.29 Favored 'General case' 0 CA--C 1.504 -0.817 0 C-N-CA 124.153 0.981 . . . . 0.0 110.497 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.63 -30.99 24.46 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 123.714 0.806 . . . . 0.0 110.734 168.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -89.88 -40.76 12.21 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 125.355 1.462 . . . . 0.0 111.851 -171.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.427 ' O ' ' HB2' ' A' ' 19' ' ' ASP . 31.2 tp60 -69.13 -22.86 63.93 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 126.407 1.883 . . . . 0.0 109.482 177.54 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.16 -0.24 35.16 Favored 'General case' 0 C--N 1.358 0.939 0 C-N-CA 125.678 1.591 . . . . 0.0 114.042 171.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.51 -43.96 9.37 Favored 'General case' 0 C--N 1.37 1.467 0 C-N-CA 124.529 1.132 . . . . 0.0 109.733 159.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -83.11 -21.11 33.75 Favored 'General case' 0 C--N 1.356 0.889 0 C-N-CA 126.499 1.92 . . . . 0.0 112.942 -168.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.427 ' HB2' ' O ' ' A' ' 15' ' ' GLN . 1.4 t70 -82.07 -0.8 46.21 Favored 'General case' 0 C--N 1.362 1.126 0 O-C-N 120.037 -1.664 . . . . 0.0 111.829 179.178 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.55 -21.8 21.6 Favored 'General case' 0 C--N 1.363 1.154 0 C-N-CA 127.407 2.283 . . . . 0.0 112.18 161.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -90.7 -24.52 20.41 Favored 'General case' 0 C--N 1.375 1.712 0 C-N-CA 125.307 1.443 . . . . 0.0 110.088 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -69.4 -31.61 70.09 Favored 'General case' 0 C--N 1.366 1.319 0 C-N-CA 129.773 3.229 . . . . 0.0 112.667 175.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.65 -30.82 64.62 Favored 'General case' 0 C--N 1.36 1.057 0 CA-C-N 121.092 1.769 . . . . 0.0 114.529 -171.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.8 t -90.87 0.76 57.4 Favored 'General case' 0 C--N 1.358 0.958 0 C-N-CA 125.067 1.347 . . . . 0.0 111.61 170.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.81 -8.84 48.53 Favored 'General case' 0 C--N 1.369 1.448 0 C-N-CA 127.493 2.317 . . . . 0.0 109.153 172.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -84.71 4.8 30.99 Favored 'General case' 0 C--N 1.36 1.064 0 C-N-CA 127.288 2.235 . . . . 0.0 111.865 171.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.19 -10.59 41.16 Favored 'General case' 0 C--N 1.361 1.107 0 C-N-CA 126.431 1.893 . . . . 0.0 114.742 161.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -64.05 -24.28 67.65 Favored 'General case' 0 C--N 1.372 1.577 0 C-N-CA 128.128 2.571 . . . . 0.0 114.644 -162.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -88.9 -23.44 22.73 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 126.439 1.895 . . . . 0.0 113.931 175.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.23 -29.31 18.27 Favored 'General case' 0 C--N 1.362 1.137 0 O-C-N 120.616 -1.303 . . . . 0.0 109.334 177.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.84 28.87 1.44 Allowed 'General case' 0 C--N 1.36 1.052 0 C-N-CA 129.626 3.171 . . . . 0.0 111.777 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.9 tptt -105.88 -84.92 0.5 Allowed 'General case' 0 C--N 1.358 0.937 0 C-N-CA 126.856 2.063 . . . . 0.0 107.832 174.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -74.42 -17.25 60.82 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 126.597 1.959 . . . . 0.0 115.202 -166.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.91 -43.73 9.82 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 124.361 1.064 . . . . 0.0 112.655 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.5 t -103.79 -28.8 2.95 Favored 'Isoleucine or valine' 0 C--N 1.357 0.91 0 C-N-CA 123.79 0.836 . . . . 0.0 109.657 -158.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -127.28 -32.39 2.47 Favored 'General case' 0 C--N 1.357 0.899 0 O-C-N 121.636 -0.665 . . . . 0.0 110.674 -177.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . 0.295 1.5 mm? 91.1 -3.79 0.23 Allowed 'General case' 0 C--N 1.363 1.159 0 C-N-CA 127.398 2.279 . . . . 0.0 111.933 170.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.269 2.124 0 CA-C-N 121.321 1.873 . . . . 0.0 108.045 -167.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 . . . . . 0 N--CA 1.481 1.118 1 N-CA-C 99.818 -4.141 . . . . 0.0 99.818 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.97 166.93 10.24 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 125.712 1.605 . . . . 0.0 108.186 -176.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -159.2 132.42 7.13 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 101.865 -3.383 . . . . 0.0 101.865 174.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 48.1 tttp -171.23 99.36 0.2 Allowed 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 103.942 -2.614 . . . . 0.0 103.942 164.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.5 149.91 35.5 Favored 'General case' 0 CA--C 1.498 -1.047 1 N-CA-C 98.817 -4.512 . . . . 0.0 98.817 174.064 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.51 -29.02 17.22 Favored 'General case' 0 C--N 1.359 1.007 0 C-N-CA 126.057 1.743 . . . . 0.0 112.732 178.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.37 -63.44 1.13 Allowed 'General case' 0 C--N 1.363 1.156 0 C-N-CA 125.117 1.367 . . . . 0.0 107.834 -175.424 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . 0.278 11.3 tt0 104.39 130.18 0.01 OUTLIER 'General case' 0 C--N 1.362 1.11 0 C-N-CA 131.195 3.798 . . . . 0.0 107.667 172.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.23 49.32 0.91 Allowed 'General case' 0 C--N 1.363 1.162 0 O-C-N 120.269 -1.519 . . . . 0.0 108.897 -174.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.7 m -130.33 -146.23 0.3 Allowed 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 101.524 -3.51 . . . . 0.0 101.524 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -63.16 -18.55 63.59 Favored 'General case' 0 C--N 1.366 1.312 0 C-N-CA 127.83 2.452 . . . . 0.0 114.733 -173.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -86.76 -2.92 58.94 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 119.948 -1.72 . . . . 0.0 112.679 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.98 -39.25 4.27 Favored 'General case' 0 CA--C 1.499 -0.998 0 N-CA-C 106.649 -1.611 . . . . 0.0 106.649 159.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -74.49 -27.03 60.38 Favored 'General case' 0 C--N 1.363 1.155 0 C-N-CA 126.684 1.994 . . . . 0.0 115.199 -169.328 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -74.97 -28.18 60.46 Favored 'General case' 0 C--N 1.372 1.584 0 O-C-N 119.4 -2.062 . . . . 0.0 111.045 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.58 -6.6 58.83 Favored 'General case' 0 C--N 1.363 1.171 0 C-N-CA 126.613 1.965 . . . . 0.0 113.821 178.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.12 -30.41 16.73 Favored 'General case' 0 C--N 1.364 1.234 0 CA-C-O 122.531 1.158 . . . . 0.0 110.902 164.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.1 tttp -79.27 -20.46 48.02 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 125.492 1.517 . . . . 0.0 111.058 -163.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -90.15 -3.72 57.71 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 124.224 1.01 . . . . 0.0 111.582 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.13 -37.25 13.5 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 126.768 2.027 . . . . 0.0 112.013 168.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -82.18 -26.97 32.93 Favored 'General case' 0 C--N 1.371 1.539 0 C-N-CA 126.959 2.104 . . . . 0.0 111.557 178.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -63.77 -17.63 63.25 Favored 'General case' 0 C--N 1.378 1.84 0 C-N-CA 127.312 2.245 . . . . 0.0 114.799 173.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.55 -31.95 63.92 Favored 'General case' 0 C--N 1.364 1.2 0 C-N-CA 125.453 1.501 . . . . 0.0 113.072 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.57 -6.42 54.71 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 126.353 1.861 . . . . 0.0 112.293 173.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.8 tmtm? -90.25 -28.1 19.05 Favored 'General case' 0 C--N 1.361 1.093 0 O-C-N 119.695 -1.878 . . . . 0.0 111.569 -172.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -14.76 62.47 Favored 'General case' 0 C--N 1.373 1.61 0 C-N-CA 127.009 2.124 . . . . 0.0 112.439 -174.097 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.587 ' HA ' ' HB3' ' A' ' 30' ' ' ALA . . . -77.91 3.4 14.63 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 130.691 3.596 . . . . 0.0 113.901 -179.408 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -90.54 -49.36 6.54 Favored 'General case' 0 C--N 1.361 1.106 0 C-N-CA 127.522 2.329 . . . . 0.0 111.099 168.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -71.39 -22.36 61.88 Favored 'General case' 0 C--N 1.366 1.322 0 C-N-CA 128.674 2.789 . . . . 0.0 110.051 173.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.587 ' HB3' ' HA ' ' A' ' 27' ' ' ALA . . . -75.64 17.6 0.29 Allowed 'General case' 0 C--N 1.361 1.095 0 C-N-CA 125.756 1.623 . . . . 0.0 114.911 173.053 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.4 3.54 53.52 Favored 'General case' 0 C--N 1.368 1.394 0 C-N-CA 125.57 1.548 . . . . 0.0 110.952 159.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -114.7 -93.52 0.48 Allowed 'General case' 0 C--N 1.356 0.857 0 C-N-CA 127.526 2.33 . . . . 0.0 110.542 175.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.4 mp0 -77.46 -14.73 59.62 Favored 'General case' 0 C--N 1.366 1.322 0 C-N-CA 126.179 1.791 . . . . 0.0 114.117 -155.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.75 -11.38 39.75 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 127.345 2.258 . . . . 0.0 112.462 176.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 77.2 t -111.99 -58.64 3.52 Favored 'Isoleucine or valine' 0 C--N 1.36 1.059 0 C-N-CA 125.67 1.588 . . . . 0.0 108.068 -173.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -121.88 -21.99 5.89 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 121.815 -0.553 . . . . 0.0 112.202 -164.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.9 mp 74.66 6.73 4.47 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 126.028 1.731 . . . . 0.0 115.394 165.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.2 ttpt . . . . . 0 C--O 1.258 1.545 0 CA-C-N 119.833 1.197 . . . . 0.0 109.007 -161.669 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . 0.298 1.4 mp0 . . . . . 0 CA--C 1.484 -1.561 0 CA-C-O 118.528 -0.749 . . . . 0.0 111.668 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.54 160.64 43.21 Favored 'General case' 0 CA--C 1.498 -1.027 0 N-CA-C 102.485 -3.154 . . . . 0.0 102.485 -173.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.278 73.7 t80 88.52 131.49 0.03 OUTLIER 'General case' 0 C--N 1.361 1.088 0 C-N-CA 128.187 2.595 . . . . 0.0 110.234 -173.293 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 43.4 mttm -165.89 73.06 0.17 Allowed 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 103.191 -2.892 . . . . 0.0 103.191 169.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . 0.309 29.6 mtmm 92.71 133.14 0.03 OUTLIER 'General case' 0 C--N 1.354 0.798 0 C-N-CA 128.192 2.597 . . . . 0.0 113.371 171.029 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.03 167.98 11.99 Favored 'General case' 0 C--N 1.367 1.329 0 C-N-CA 125.852 1.661 . . . . 0.0 108.722 173.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.5 tttt -99.75 2.44 44.18 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.767 -161.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -165.65 -73.94 0.03 OUTLIER 'General case' 0 C--N 1.359 1.014 0 N-CA-C 105.096 -2.187 . . . . 0.0 105.096 168.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.42 -78.73 0.51 Allowed 'General case' 0 C--N 1.358 0.958 0 C-N-CA 125.097 1.359 . . . . 0.0 111.43 -169.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.2 m -157.12 -158.89 0.8 Allowed 'General case' 0 CA--C 1.496 -1.096 0 N-CA-C 101.918 -3.364 . . . . 0.0 101.918 -164.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -70.09 -15.34 62.97 Favored 'General case' 0 C--N 1.363 1.178 0 C-N-CA 125.19 1.396 . . . . 0.0 113.539 -172.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -69.75 -22.36 63.37 Favored 'General case' 0 C--N 1.359 1.019 0 C-N-CA 126.978 2.111 . . . . 0.0 114.472 164.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.23 -14.01 21.66 Favored 'General case' 0 C--N 1.365 1.272 0 O-C-N 119.307 -2.12 . . . . 0.0 109.415 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 -90.68 -35.31 15.01 Favored 'General case' 0 N--CA 1.433 -1.277 0 C-N-CA 127.782 2.433 . . . . 0.0 111.667 173.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -81.51 -43.46 18.76 Favored 'General case' 0 C--N 1.366 1.321 0 C-N-CA 126.657 1.983 . . . . 0.0 112.636 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.05 -5.56 49.31 Favored 'General case' 0 C--N 1.366 1.283 0 O-C-N 120.314 -1.492 . . . . 0.0 112.541 -177.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.58 -20.87 22.11 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 128.932 2.893 . . . . 0.0 111.161 166.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -90.89 -26.66 19.23 Favored 'General case' 0 C--N 1.361 1.108 0 C-N-CA 126.231 1.813 . . . . 0.0 111.076 -176.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -90.3 -2.35 58.0 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 120.571 -1.331 . . . . 0.0 110.193 -176.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.23 -31.2 17.1 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 126.56 1.944 . . . . 0.0 111.428 171.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -90.34 -13.58 34.85 Favored 'General case' 0 C--N 1.373 1.607 0 C-N-CA 125.712 1.605 . . . . 0.0 111.278 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.417 ' HA ' ' HB2' ' A' ' 25' ' ' LYS . 17.8 m-20 -82.31 -12.45 57.99 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 126.459 1.904 . . . . 0.0 111.604 -177.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.57 -35.81 63.04 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 124.595 1.158 . . . . 0.0 113.609 -177.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.624 ' HA ' ' HB3' ' A' ' 27' ' ' ALA . 4.5 p -89.99 -8.0 52.66 Favored 'General case' 0 C--N 1.359 0.993 0 C-N-CA 126.248 1.819 . . . . 0.0 110.791 175.522 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 22' ' ' ASN . 1.5 mptm? -90.58 -11.64 39.39 Favored 'General case' 0 C--N 1.349 0.555 0 C-N-CA 127.065 2.146 . . . . 0.0 114.047 174.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -90.83 -19.5 23.36 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 124.115 0.966 . . . . 0.0 110.978 156.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.624 ' HB3' ' HA ' ' A' ' 24' ' ' SER . . . -90.27 -31.79 16.82 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 124.972 1.309 . . . . 0.0 112.172 -168.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -66.1 -16.36 63.87 Favored 'General case' 0 C--N 1.373 1.595 0 C-N-CA 128.397 2.679 . . . . 0.0 114.579 174.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -85.71 -0.25 54.68 Favored 'General case' 0 C--N 1.372 1.558 0 C-N-CA 125.22 1.408 . . . . 0.0 114.259 -167.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.01 -47.37 16.37 Favored 'General case' 0 C--N 1.363 1.153 0 O-C-N 120.892 -1.13 . . . . 0.0 111.445 169.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.83 -60.04 2.04 Favored 'General case' 0 C--N 1.358 0.959 0 C-N-CA 126.407 1.883 . . . . 0.0 110.453 177.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.4 mtmt 78.79 84.54 0.06 Allowed 'General case' 0 C--N 1.361 1.074 0 C-N-CA 128.647 2.779 . . . . 0.0 110.428 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -97.11 -14.0 21.81 Favored 'General case' 0 C--N 1.359 0.998 0 CA-C-O 121.704 0.764 . . . . 0.0 111.603 -178.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.79 -60.74 1.79 Allowed 'General case' 0 C--N 1.358 0.965 0 C-N-CA 128.419 2.688 . . . . 0.0 111.473 175.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.7 p -100.67 16.68 4.0 Favored 'Isoleucine or valine' 0 C--N 1.36 1.04 0 C-N-CA 124.875 1.27 . . . . 0.0 110.443 -162.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.495 ' O ' HD22 ' A' ' 37' ' ' LEU . 24.2 t30 -161.19 159.16 28.52 Favored 'General case' 0 N--CA 1.438 -1.043 1 N-CA-C 97.968 -4.827 . . . . 0.0 97.968 177.128 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.495 HD22 ' O ' ' A' ' 36' ' ' ASN . 1.4 mm? -154.47 28.68 0.44 Allowed 'General case' 0 C--N 1.358 0.941 0 N-CA-C 104.18 -2.526 . . . . 0.0 104.18 173.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.259 1.559 0 O-C-N 119.499 -2.0 . . . . 0.0 106.88 -177.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 . . . . . 0 N--CA 1.485 1.291 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 74.57 155.11 0.16 Allowed 'General case' 0 C--N 1.365 1.263 0 C-N-CA 129.174 2.99 . . . . 0.0 113.353 -174.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -155.02 -55.82 0.1 Allowed 'General case' 0 C--N 1.353 0.737 0 O-C-N 121.218 -0.926 . . . . 0.0 109.451 179.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -154.18 103.85 2.57 Favored 'General case' 0 CA--C 1.5 -0.947 0 N-CA-C 102.917 -2.994 . . . . 0.0 102.917 -174.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -147.53 157.77 43.71 Favored 'General case' 0 CA--C 1.493 -1.242 0 N-CA-C 100.493 -3.891 . . . . 0.0 100.493 -168.679 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.67 148.77 22.4 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 125.727 1.611 . . . . 0.0 110.31 175.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.432 ' HA ' ' HB1' ' A' ' 13' ' ' ALA . 2.3 ttpm? -95.3 80.94 3.57 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 126.036 1.735 . . . . 0.0 110.328 -169.589 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -138.08 -20.83 1.1 Allowed 'General case' 0 C--N 1.358 0.974 0 C-N-CA 124.924 1.29 . . . . 0.0 110.988 -171.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -97.52 -67.89 0.83 Allowed 'General case' 0 C--N 1.369 1.44 0 CA-C-N 120.685 1.584 . . . . 0.0 110.868 -171.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.5 m -162.8 -136.69 0.03 OUTLIER 'General case' 0 CA--C 1.501 -0.923 0 N-CA-C 104.588 -2.375 . . . . 0.0 104.588 -175.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.573 ' HA ' ' HB2' ' A' ' 14' ' ' GLU . 16.1 pt20 -88.83 -13.33 39.57 Favored 'General case' 0 C--N 1.368 1.406 0 C-N-CA 123.78 0.832 . . . . 0.0 111.391 -172.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.7 -4.64 56.78 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 130.865 3.666 . . . . 0.0 110.745 172.605 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.432 ' HB1' ' HA ' ' A' ' 7' ' ' LYS . . . -112.33 -14.49 13.3 Favored 'General case' 0 N--CA 1.437 -1.12 0 C-N-CA 126.844 2.058 . . . . 0.0 107.766 176.362 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.573 ' HB2' ' HA ' ' A' ' 11' ' ' GLN . 0.5 OUTLIER -90.61 -43.81 9.93 Favored 'General case' 0 C--N 1.365 1.254 0 C-N-CA 128.609 2.764 . . . . 0.0 107.649 177.246 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -62.34 -10.57 11.58 Favored 'General case' 0 C--N 1.367 1.361 0 C-N-CA 129.114 2.966 . . . . 0.0 116.23 -178.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.51 -19.3 31.39 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 119.979 -1.7 . . . . 0.0 114.569 165.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.9 -38.89 12.03 Favored 'General case' 0 C--N 1.363 1.182 0 C-N-CA 125.696 1.599 . . . . 0.0 111.88 165.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.1 tttp -87.35 -9.0 56.0 Favored 'General case' 0 C--N 1.374 1.658 0 C-N-CA 128.409 2.683 . . . . 0.0 112.236 -159.129 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.28 14.14 4.64 Favored 'General case' 0 C--N 1.365 1.244 0 O-C-N 120.29 -1.506 . . . . 0.0 111.737 175.554 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.56 -44.93 9.24 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 129.636 3.174 . . . . 0.0 111.671 167.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.85 -13.05 34.48 Favored 'General case' 0 C--N 1.381 1.964 0 C-N-CA 125.727 1.611 . . . . 0.0 111.616 -173.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.8 m-20 -62.37 -25.59 68.0 Favored 'General case' 0 C--N 1.372 1.561 0 C-N-CA 128.153 2.581 . . . . 0.0 112.257 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.21 -31.77 70.58 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 128.405 2.682 . . . . 0.0 114.489 174.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.88 -16.71 27.72 Favored 'General case' 0 C--N 1.354 0.8 0 C-N-CA 125.923 1.689 . . . . 0.0 113.062 171.055 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -90.28 -14.44 33.25 Favored 'General case' 0 C--N 1.351 0.647 0 C-N-CA 124.115 0.966 . . . . 0.0 113.126 177.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -85.3 -28.04 25.55 Favored 'General case' 0 C--N 1.369 1.424 0 C-N-CA 125.811 1.645 . . . . 0.0 109.959 167.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.01 2.43 30.99 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 127.461 2.305 . . . . 0.0 111.342 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.35 -54.96 5.83 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 128.879 2.872 . . . . 0.0 111.263 177.211 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -89.85 -24.59 21.36 Favored 'General case' 0 C--N 1.363 1.195 0 C-N-CA 125.516 1.527 . . . . 0.0 111.196 177.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.64 -24.78 33.64 Favored 'General case' 0 C--N 1.362 1.151 0 O-C-N 119.964 -1.71 . . . . 0.0 114.026 -177.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.19 1.99 56.69 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 120.304 -1.497 . . . . 0.0 113.411 169.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -69.43 -48.97 59.29 Favored 'General case' 0 C--N 1.374 1.664 0 N-CA-C 115.831 1.789 . . . . 0.0 115.831 -164.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -90.88 -16.6 27.91 Favored 'General case' 0 C--N 1.368 1.38 0 C-N-CA 125.137 1.375 . . . . 0.0 109.913 174.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.32 -45.91 8.73 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 126.956 2.102 . . . . 0.0 111.351 -162.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.273 2.8 t 67.17 18.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.367 1.337 0 C-N-CA 128.343 2.657 . . . . 0.0 113.482 173.464 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.418 ' ND2' ' H ' ' A' ' 37' ' ' LEU . 0.6 OUTLIER -160.44 -69.43 0.07 Allowed 'General case' 0 C--N 1.356 0.87 0 O-C-N 120.114 -1.616 . . . . 0.0 107.306 -171.497 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.418 ' H ' ' ND2' ' A' ' 36' ' ' ASN . 0.3 OUTLIER 71.01 39.15 1.02 Allowed 'General case' 0 C--N 1.362 1.149 0 C-N-CA 129.633 3.173 . . . . 0.0 112.996 -176.856 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt . . . . . 0 C--O 1.265 1.886 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 175.958 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 . . . . . 0 CA--C 1.496 -1.101 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.97 -22.22 45.97 Favored 'General case' 0 C--N 1.364 1.216 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -160.38 167.85 26.48 Favored 'General case' 0 CA--C 1.498 -1.035 1 N-CA-C 99.934 -4.099 . . . . 0.0 99.934 175.159 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.312 1.5 mmmt 82.68 13.01 0.49 Allowed 'General case' 0 C--N 1.365 1.269 0 C-N-CA 128.605 2.762 . . . . 0.0 113.437 -179.257 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . 0.29 30.5 mmtm 79.25 -83.12 0.02 OUTLIER 'General case' 0 C--N 1.364 1.206 0 C-N-CA 129.099 2.959 . . . . 0.0 111.89 172.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.85 -102.46 0.11 Allowed 'General case' 0 C--N 1.356 0.87 0 C-N-CA 124.628 1.171 . . . . 0.0 109.806 176.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -100.61 170.51 8.32 Favored 'General case' 0 C--N 1.358 0.96 0 N-CA-C 105.595 -2.002 . . . . 0.0 105.595 173.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -67.37 -76.76 0.08 Allowed 'General case' 0 C--N 1.351 0.663 0 C-N-CA 126.584 1.954 . . . . 0.0 114.851 -168.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.91 -27.09 13.18 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 123.894 0.878 . . . . 0.0 109.587 169.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.285 20.2 m 75.43 26.14 1.18 Allowed 'General case' 0 C--N 1.367 1.36 0 C-N-CA 129.218 3.007 . . . . 0.0 115.425 -174.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -84.66 -33.77 23.16 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 125.903 1.681 . . . . 0.0 111.498 -175.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.7 -9.57 59.66 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 128.244 2.618 . . . . 0.0 111.346 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.35 -21.45 18.97 Favored 'General case' 0 C--N 1.356 0.877 0 C-N-CA 125.407 1.483 . . . . 0.0 110.039 179.106 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -91.81 -45.96 8.12 Favored 'General case' 0 C--N 1.364 1.217 0 C-N-CA 126.715 2.006 . . . . 0.0 109.859 176.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -73.67 -20.95 60.41 Favored 'General case' 0 C--N 1.364 1.204 0 C-N-CA 126.28 1.832 . . . . 0.0 112.209 -170.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.93 -24.13 66.05 Favored 'General case' 0 C--N 1.362 1.115 0 C-N-CA 125.426 1.49 . . . . 0.0 114.688 166.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.66 -19.56 26.04 Favored 'General case' 0 C--N 1.372 1.558 0 CA-C-N 120.274 1.397 . . . . 0.0 113.455 178.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -88.82 -24.35 22.6 Favored 'General case' 0 C--N 1.361 1.075 0 O-C-N 121.001 -1.062 . . . . 0.0 111.262 -173.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.27 12.4 2.94 Favored 'General case' 0 C--N 1.36 1.037 0 C-N-CA 125.841 1.657 . . . . 0.0 114.605 -172.173 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.58 -30.26 17.32 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 128.695 2.798 . . . . 0.0 111.339 166.165 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -90.67 -33.98 15.6 Favored 'General case' 0 C--N 1.368 1.411 0 C-N-CA 126.683 1.993 . . . . 0.0 108.681 175.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -73.38 -5.79 42.06 Favored 'General case' 0 C--N 1.371 1.521 0 C-N-CA 125.024 1.33 . . . . 0.0 113.83 -177.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.07 -29.93 58.15 Favored 'General case' 0 C--N 1.355 0.819 0 O-C-N 120.762 -1.211 . . . . 0.0 112.671 178.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.0 t -91.62 -26.44 18.69 Favored 'General case' 0 C--N 1.365 1.265 0 C-N-CA 124.641 1.176 . . . . 0.0 110.878 165.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -89.15 23.45 2.44 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 125.722 1.609 . . . . 0.0 113.186 -177.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.93 -8.36 59.19 Favored 'General case' 0 C--N 1.36 1.023 0 C-N-CA 127.147 2.179 . . . . 0.0 111.526 175.527 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.81 -24.92 67.7 Favored 'General case' 0 C--N 1.368 1.383 0 C-N-CA 127.922 2.489 . . . . 0.0 114.332 166.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -68.83 -10.58 57.65 Favored 'General case' 0 C--N 1.379 1.859 0 C-N-CA 127.034 2.134 . . . . 0.0 115.056 -176.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -91.54 -47.58 7.33 Favored 'General case' 0 C--N 1.361 1.085 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 170.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.22 -30.49 17.53 Favored 'General case' 0 C--N 1.36 1.022 0 O-C-N 120.704 -1.247 . . . . 0.0 112.165 -172.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.67 -44.78 9.28 Favored 'General case' 0 C--N 1.366 1.325 0 C-N-CA 124.504 1.122 . . . . 0.0 111.325 171.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.278 13.7 mtpt 76.76 61.69 0.04 OUTLIER 'General case' 0 C--N 1.364 1.229 0 C-N-CA 126.089 1.756 . . . . 0.0 113.517 174.382 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -73.01 -30.2 63.59 Favored 'General case' 0 C--N 1.36 1.033 0 C-N-CA 125.08 1.352 . . . . 0.0 113.517 -159.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.56 -21.18 23.01 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 125.945 1.698 . . . . 0.0 111.804 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 44.3 t -99.67 -26.76 3.64 Favored 'Isoleucine or valine' 0 C--N 1.363 1.157 0 O-C-N 120.933 -1.105 . . . . 0.0 109.725 -169.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -87.3 -77.13 0.34 Allowed 'General case' 0 C--N 1.359 0.991 0 C-N-CA 127.323 2.249 . . . . 0.0 108.677 -176.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 105.95 -10.69 0.01 OUTLIER 'General case' 0 C--N 1.367 1.332 0 C-N-CA 128.211 2.605 . . . . 0.0 110.549 175.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.275 2.4 0 C-N-CA 124.055 0.942 . . . . 0.0 112.698 -173.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 . . . . . 0 CA--C 1.495 -1.149 0 N-CA-C 103.769 -2.678 . . . . 0.0 103.769 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.02 74.29 0.71 Allowed 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 105.168 -2.16 . . . . 0.0 105.168 177.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.269 11.2 t80 92.0 -102.77 0.0 OUTLIER 'General case' 0 C--N 1.364 1.199 0 C-N-CA 128.644 2.777 . . . . 0.0 109.095 176.485 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.263 74.0 mmtt 76.06 -90.1 0.02 OUTLIER 'General case' 0 C--N 1.36 1.054 0 C-N-CA 128.958 2.903 . . . . 0.0 112.825 -178.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -141.89 51.81 1.51 Allowed 'General case' 0 C--N 1.358 0.949 0 N-CA-C 105.755 -1.942 . . . . 0.0 105.755 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.86 107.58 19.19 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 126.463 1.905 . . . . 0.0 109.785 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.96 -7.18 23.59 Favored 'General case' 0 C--N 1.36 1.063 0 C-N-CA 126.613 1.965 . . . . 0.0 113.611 -168.329 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.34 -168.59 0.2 Allowed 'General case' 0 CA--C 1.5 -0.969 1 N-CA-C 96.649 -5.315 . . . . 0.0 96.649 -158.142 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.49 -165.91 1.26 Allowed 'General case' 0 C--N 1.354 0.794 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 166.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.9 m -96.23 40.74 1.12 Allowed 'General case' 0 CA--C 1.512 -0.481 0 C-N-CA 125.406 1.483 . . . . 0.0 111.818 -168.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -88.75 -32.71 17.78 Favored 'General case' 0 C--N 1.362 1.152 0 C-N-CA 130.532 3.533 . . . . 0.0 109.725 177.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -92.57 7.46 43.19 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 127.763 2.425 . . . . 0.0 109.373 -174.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.47 -9.36 10.87 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 127.009 2.123 . . . . 0.0 108.527 169.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -90.84 -39.42 12.35 Favored 'General case' 0 C--N 1.371 1.514 0 CA-C-N 119.18 0.9 . . . . 0.0 109.452 173.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.4 tm0? -76.03 -44.73 37.87 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 125.32 1.448 . . . . 0.0 111.433 -175.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.97 4.84 31.79 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 125.487 1.515 . . . . 0.0 112.247 179.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.27 -22.37 20.61 Favored 'General case' 0 C--N 1.358 0.959 0 C-N-CA 127.15 2.18 . . . . 0.0 111.98 159.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -88.16 -36.05 17.06 Favored 'General case' 0 C--N 1.376 1.741 0 C-N-CA 124.811 1.245 . . . . 0.0 110.605 -164.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -88.96 26.3 1.59 Allowed 'General case' 0 C--N 1.362 1.11 0 C-N-CA 127.661 2.384 . . . . 0.0 111.414 -171.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.46 -52.66 4.8 Favored 'General case' 0 N--CA 1.439 -0.997 0 C-N-CA 128.399 2.679 . . . . 0.0 109.144 157.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -90.53 -34.37 15.56 Favored 'General case' 0 C--N 1.364 1.2 0 C-N-CA 126.693 1.997 . . . . 0.0 110.251 -168.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -70.73 -21.64 62.52 Favored 'General case' 0 C--N 1.359 0.993 0 C-N-CA 129.914 3.286 . . . . 0.0 111.63 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.36 -24.88 50.63 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 125.975 1.71 . . . . 0.0 113.414 -177.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.4 m -90.9 -22.68 20.78 Favored 'General case' 0 C--N 1.36 1.023 0 C-N-CA 125.905 1.682 . . . . 0.0 111.518 170.181 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -79.31 -29.8 42.55 Favored 'General case' 0 C--N 1.368 1.401 0 C-N-CA 126.175 1.79 . . . . 0.0 111.003 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -59.72 -39.0 83.21 Favored 'General case' 0 C--N 1.369 1.419 0 C-N-CA 129.006 2.922 . . . . 0.0 113.635 167.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.7 7.75 37.94 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 125.556 1.542 . . . . 0.0 114.056 179.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -88.92 -22.22 23.21 Favored 'General case' 0 C--N 1.367 1.336 0 C-N-CA 124.024 0.93 . . . . 0.0 113.417 -178.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -90.34 -35.63 15.12 Favored 'General case' 0 C--N 1.365 1.239 0 C-N-CA 126.544 1.937 . . . . 0.0 110.585 -179.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.8 -13.12 61.6 Favored 'General case' 0 C--N 1.365 1.27 0 C-N-CA 126.956 2.102 . . . . 0.0 113.203 178.047 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.32 0.54 36.63 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 127.694 2.398 . . . . 0.0 112.685 171.159 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -136.42 -38.79 0.67 Allowed 'General case' 0 C--N 1.36 1.053 0 C-N-CA 125.576 1.551 . . . . 0.0 112.034 -175.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -57.09 -40.12 76.33 Favored 'General case' 0 C--N 1.387 2.203 0 C-N-CA 126.465 1.906 . . . . 0.0 114.438 -173.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.1 -84.91 0.24 Allowed 'General case' 0 C--N 1.353 0.757 0 C-N-CA 126.863 2.065 . . . . 0.0 110.254 170.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -170.01 -40.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.361 1.079 0 C-N-CA 127.575 2.35 . . . . 0.0 107.474 177.086 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -137.6 -87.32 0.28 Allowed 'General case' 0 C--N 1.358 0.946 0 N-CA-C 105.51 -2.033 . . . . 0.0 105.51 -169.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 mt 64.49 29.38 13.31 Favored 'General case' 0 C--N 1.365 1.253 0 C-N-CA 126.302 1.841 . . . . 0.0 113.403 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.7 tttt . . . . . 0 C--O 1.261 1.689 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 -166.173 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 . . . . . 0 N--CA 1.485 1.307 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.13 140.99 48.99 Favored 'General case' 0 CA--C 1.497 -1.089 0 N-CA-C 102.089 -3.3 . . . . 0.0 102.089 167.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -147.8 -96.55 0.08 Allowed 'General case' 0 N--CA 1.441 -0.891 1 N-CA-C 99.811 -4.144 . . . . 0.0 99.811 -173.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -166.73 143.58 4.77 Favored 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 102.68 -3.081 . . . . 0.0 102.68 175.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.26 149.8 29.09 Favored 'General case' 0 C--N 1.358 0.935 1 N-CA-C 97.03 -5.174 . . . . 0.0 97.03 165.409 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.405 ' HB1' ' H ' ' A' ' 7' ' ' LYS . . . -91.54 -143.23 0.19 Allowed 'General case' 0 C--N 1.367 1.331 0 C-N-CA 125.481 1.513 . . . . 0.0 111.814 171.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.405 ' H ' ' HB1' ' A' ' 6' ' ' ALA . 7.1 mptt -100.91 118.5 37.07 Favored 'General case' 0 C--N 1.36 1.032 0 C-N-CA 128.446 2.699 . . . . 0.0 105.095 168.598 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -145.33 -64.12 0.33 Allowed 'General case' 0 C--N 1.356 0.862 0 N-CA-C 105.67 -1.974 . . . . 0.0 105.67 -165.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.1 -145.11 0.33 Allowed 'General case' 0 C--N 1.365 1.25 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 171.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.7 19.22 20.8 Favored 'General case' 0 CA--C 1.493 -1.234 0 CA-C-N 120.022 1.283 . . . . 0.0 113.03 -173.542 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -83.58 -6.01 59.33 Favored 'General case' 0 C--N 1.349 0.582 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -170.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -99.59 -30.02 12.37 Favored 'General case' 0 C--N 1.363 1.183 0 CA-C-O 123.47 1.605 . . . . 0.0 108.442 173.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.57 -27.44 25.52 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 128.417 2.687 . . . . 0.0 111.435 -169.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.26 -14.03 34.14 Favored 'General case' 0 C--N 1.365 1.268 0 C-N-CA 125.483 1.513 . . . . 0.0 111.511 172.106 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.23 -36.71 14.59 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 126.949 2.1 . . . . 0.0 111.189 -179.589 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.56 -20.24 65.97 Favored 'General case' 0 C--N 1.366 1.294 0 C-N-CA 125.079 1.352 . . . . 0.0 114.08 -176.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.44 -16.4 34.95 Favored 'General case' 0 C--N 1.361 1.075 0 C-N-CA 126.011 1.724 . . . . 0.0 111.519 171.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -81.95 -31.46 31.24 Favored 'General case' 0 C--N 1.369 1.448 0 O-C-N 120.69 -1.257 . . . . 0.0 109.329 179.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -85.78 2.48 45.45 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 125.01 1.324 . . . . 0.0 112.074 175.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.54 -37.54 13.79 Favored 'General case' 0 C--N 1.367 1.348 0 C-N-CA 126.283 1.833 . . . . 0.0 110.762 163.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -86.44 -45.31 11.27 Favored 'General case' 0 C--N 1.376 1.732 0 C-N-CA 125.064 1.346 . . . . 0.0 111.357 -174.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -64.86 -10.3 27.41 Favored 'General case' 0 C--N 1.371 1.53 0 C-N-CA 130.416 3.486 . . . . 0.0 112.728 177.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.66 -30.79 59.53 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 126.515 1.926 . . . . 0.0 112.369 178.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.7 t -91.14 -21.62 21.08 Favored 'General case' 0 C--N 1.362 1.119 0 C-N-CA 125.596 1.558 . . . . 0.0 112.974 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -69.01 -22.53 64.07 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 126.336 1.855 . . . . 0.0 114.608 -168.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -83.17 -22.14 33.33 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 127.254 2.221 . . . . 0.0 112.401 172.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.52 -39.94 12.28 Favored 'General case' 0 C--N 1.364 1.236 0 O-C-N 119.569 -1.957 . . . . 0.0 110.938 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -75.22 -1.94 25.67 Favored 'General case' 0 C--N 1.369 1.446 0 C-N-CA 126.603 1.961 . . . . 0.0 113.966 175.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.85 -33.61 24.81 Favored 'General case' 0 C--N 1.363 1.175 0 C-N-CA 127.552 2.341 . . . . 0.0 110.817 177.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.54 -16.86 50.4 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 125.44 1.496 . . . . 0.0 111.295 -177.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.08 -17.44 52.65 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 127.496 2.318 . . . . 0.0 111.702 170.345 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -81.46 -47.84 12.64 Favored 'General case' 0 C--N 1.361 1.101 0 O-C-N 121.247 -0.908 . . . . 0.0 112.217 177.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -100.46 -6.54 25.42 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 -171.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.94 -50.29 5.79 Favored 'General case' 0 C--N 1.361 1.08 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 172.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.1 t -96.59 -12.0 8.52 Favored 'Isoleucine or valine' 0 C--N 1.365 1.241 0 C-N-CA 126.921 2.089 . . . . 0.0 110.991 -155.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -157.11 169.56 24.51 Favored 'General case' 0 N--CA 1.434 -1.24 1 N-CA-C 96.892 -5.225 . . . . 0.0 96.892 175.652 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 mp -152.13 59.26 0.84 Allowed 'General case' 0 CA--C 1.499 -0.989 0 N-CA-C 102.089 -3.3 . . . . 0.0 102.089 172.279 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.1 mttm . . . . . 0 C--O 1.264 1.827 0 CA-C-O 117.489 -1.244 . . . . 0.0 110.349 177.803 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.482 1.153 0 CA-C-O 120.795 0.331 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -171.71 155.61 4.03 Favored 'General case' 0 N--CA 1.438 -1.059 1 N-CA-C 99.839 -4.134 . . . . 0.0 99.839 165.028 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.279 35.3 t80 74.38 9.74 4.36 Favored 'General case' 0 C--N 1.365 1.27 0 C-N-CA 128.566 2.746 . . . . 0.0 114.048 171.46 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -97.73 137.37 36.71 Favored 'General case' 0 CA--C 1.496 -1.129 0 O-C-N 118.811 -2.431 . . . . 0.0 107.322 -170.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -113.23 -1.27 14.36 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 125.009 1.324 . . . . 0.0 107.892 -170.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.09 -57.13 2.91 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 126.988 2.115 . . . . 0.0 111.869 178.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.5 tttt -100.75 152.8 20.06 Favored 'General case' 0 C--N 1.361 1.104 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -161.01 -174.93 4.62 Favored 'General case' 0 CA--C 1.487 -1.46 0 N-CA-C 100.538 -3.875 . . . . 0.0 100.538 -170.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.8 -48.47 7.81 Favored 'General case' 0 C--N 1.359 1.017 0 C-N-CA 125.295 1.438 . . . . 0.0 112.316 -162.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.7 m 173.16 -161.15 0.02 OUTLIER 'General case' 0 CA--C 1.488 -1.412 1 N-CA-C 99.455 -4.276 . . . . 0.0 99.455 -172.596 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -64.02 -20.83 66.2 Favored 'General case' 0 C--N 1.372 1.558 0 C-N-CA 128.283 2.633 . . . . 0.0 113.796 -179.05 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -76.53 -17.23 59.36 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 128.264 2.625 . . . . 0.0 111.454 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.18 -16.74 15.63 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 124.841 1.256 . . . . 0.0 108.687 174.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.83 -33.42 19.85 Favored 'General case' 0 C--N 1.369 1.442 0 C-N-CA 126.319 1.847 . . . . 0.0 110.982 179.496 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -71.57 -41.01 69.57 Favored 'General case' 0 C--N 1.366 1.292 0 C-N-CA 128.121 2.568 . . . . 0.0 110.407 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.29 -15.01 60.98 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 128.404 2.682 . . . . 0.0 111.966 -179.08 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.53 -20.72 22.34 Favored 'General case' 0 C--N 1.365 1.281 0 C-N-CA 125.724 1.61 . . . . 0.0 112.42 175.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -88.85 -33.34 17.4 Favored 'General case' 0 C--N 1.368 1.401 0 O-C-N 120.772 -1.205 . . . . 0.0 111.368 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -85.6 2.3 45.63 Favored 'General case' 0 C--N 1.362 1.148 0 C-N-CA 124.333 1.053 . . . . 0.0 111.468 175.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.62 -37.75 13.59 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 126.829 2.052 . . . . 0.0 111.062 173.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -89.96 -21.29 22.51 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 124.25 1.02 . . . . 0.0 111.79 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -61.4 -36.31 79.93 Favored 'General case' 0 C--N 1.366 1.302 0 C-N-CA 125.14 1.376 . . . . 0.0 113.949 176.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.62 -18.82 62.19 Favored 'General case' 0 C--N 1.369 1.421 0 C-N-CA 125.819 1.648 . . . . 0.0 115.002 178.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.4 m -90.99 -17.8 25.69 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 125.451 1.501 . . . . 0.0 111.113 170.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.407 ' HA ' ' HG3' ' A' ' 28' ' ' GLU . 6.5 tmtt? -89.52 -32.08 17.34 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 126.707 2.003 . . . . 0.0 110.242 -173.214 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -85.83 -9.53 56.87 Favored 'General case' 0 C--N 1.365 1.278 0 O-C-N 120.812 -1.18 . . . . 0.0 111.591 170.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.23 -9.7 47.08 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 124.871 1.268 . . . . 0.0 111.384 177.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.407 ' HG3' ' HA ' ' A' ' 25' ' ' LYS . 43.9 mt-10 -55.54 -46.88 77.05 Favored 'General case' 0 C--N 1.375 1.684 0 C-N-CA 129.15 2.98 . . . . 0.0 115.904 -172.537 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -87.99 -11.65 46.77 Favored 'General case' 0 C--N 1.361 1.104 0 C-N-CA 126.819 2.047 . . . . 0.0 112.571 -173.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.57 -35.85 20.8 Favored 'General case' 0 C--N 1.361 1.083 0 C-N-CA 128.382 2.673 . . . . 0.0 108.422 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.61 34.53 0.71 Allowed 'General case' 0 C--N 1.366 1.326 0 C-N-CA 125.596 1.559 . . . . 0.0 112.675 172.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -132.66 -70.71 0.54 Allowed 'General case' 0 N--CA 1.439 -1.005 0 N-CA-C 102.874 -3.01 . . . . 0.0 102.874 162.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -66.56 -29.08 69.08 Favored 'General case' 0 C--N 1.362 1.133 0 N-CA-C 118.151 2.649 . . . . 0.0 118.151 -169.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.91 -24.11 19.4 Favored 'General case' 0 C--N 1.361 1.103 0 O-C-N 120.787 -1.196 . . . . 0.0 112.546 176.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.3 t -101.08 -23.33 4.41 Favored 'Isoleucine or valine' 0 C--N 1.358 0.971 0 O-C-N 121.206 -0.934 . . . . 0.0 109.161 -164.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -160.29 -156.51 0.49 Allowed 'General case' 0 CA--C 1.493 -1.235 0 N-CA-C 100.231 -3.988 . . . . 0.0 100.231 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -172.31 49.75 0.02 OUTLIER 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 101.029 -3.693 . . . . 0.0 101.029 169.334 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? . . . . . 0 C--O 1.255 1.358 0 O-C-N 120.961 -1.087 . . . . 0.0 109.049 -174.898 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 . . . . . 0 CA--C 1.492 -1.259 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.77 43.6 1.06 Allowed 'General case' 0 C--N 1.358 0.971 0 O-C-N 120.614 -1.304 . . . . 0.0 110.367 176.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -125.83 -127.07 0.24 Allowed 'General case' 0 CA--C 1.5 -0.97 0 N-CA-C 105.508 -2.034 . . . . 0.0 105.508 -173.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -89.42 -21.76 22.87 Favored 'General case' 0 C--N 1.365 1.264 0 C-N-CA 124.553 1.141 . . . . 0.0 109.413 177.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . 0.294 6.6 mtmt 89.6 -101.47 0.01 OUTLIER 'General case' 0 C--N 1.362 1.124 0 C-N-CA 126.764 2.026 . . . . 0.0 109.374 170.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.67 167.65 12.04 Favored 'General case' 0 C--N 1.36 1.027 0 C-N-CA 125.075 1.35 . . . . 0.0 109.133 172.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -99.69 106.27 18.18 Favored 'General case' 0 C--N 1.357 0.895 0 N-CA-C 105.853 -1.906 . . . . 0.0 105.853 176.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -78.24 94.79 4.84 Favored 'General case' 0 C--N 1.367 1.344 0 C-N-CA 127.03 2.132 . . . . 0.0 107.949 178.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.11 -40.44 7.59 Favored 'General case' 0 CA--C 1.495 -1.157 0 C-N-CA 126.17 1.788 . . . . 0.0 109.218 -160.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 65.1 m -172.19 -171.99 0.9 Allowed 'General case' 0 CA--C 1.481 -1.705 0 N-CA-C 102.173 -3.269 . . . . 0.0 102.173 177.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -65.97 -22.67 66.49 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 127.989 2.515 . . . . 0.0 113.486 -165.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -62.77 -30.62 71.59 Favored 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 127.543 2.337 . . . . 0.0 114.967 170.067 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -92.59 -40.77 10.59 Favored 'General case' 0 C--N 1.361 1.102 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -81.03 -21.19 40.35 Favored 'General case' 0 C--N 1.361 1.07 0 C-N-CA 125.864 1.666 . . . . 0.0 113.164 -174.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -82.36 -40.11 21.82 Favored 'General case' 0 C--N 1.365 1.259 0 C-N-CA 126.751 2.021 . . . . 0.0 112.458 170.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.4 -34.84 73.01 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 123.894 0.878 . . . . 0.0 112.831 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.6 -14.76 61.69 Favored 'General case' 0 C--N 1.363 1.192 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 173.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -79.93 -28.6 39.69 Favored 'General case' 0 C--N 1.363 1.166 0 C-N-CA 127.104 2.162 . . . . 0.0 112.095 -174.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -75.61 -7.98 55.64 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 128.535 2.734 . . . . 0.0 112.948 -172.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.77 -36.44 14.27 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 126.604 1.962 . . . . 0.0 112.047 178.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.58 -43.62 10.08 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 125.553 1.541 . . . . 0.0 110.635 176.286 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -71.91 -0.74 12.14 Favored 'General case' 0 C--N 1.372 1.575 0 C-N-CA 125.372 1.469 . . . . 0.0 113.547 -174.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.08 -26.62 25.2 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 127.866 2.466 . . . . 0.0 110.541 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.12 -13.53 38.29 Favored 'General case' 0 C--N 1.363 1.174 0 C-N-CA 125.363 1.465 . . . . 0.0 112.509 173.345 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.2 mttp -86.29 -16.18 38.33 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 127.753 2.421 . . . . 0.0 113.486 -175.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -82.89 -15.84 49.88 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 124.847 1.259 . . . . 0.0 111.981 168.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.04 -26.42 20.31 Favored 'General case' 0 C--N 1.359 1.013 0 O-C-N 120.164 -1.585 . . . . 0.0 110.746 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -57.1 -39.86 75.89 Favored 'General case' 0 C--N 1.374 1.656 0 C-N-CA 128.802 2.841 . . . . 0.0 113.285 172.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.48 ' HA ' ' HD3' ' A' ' 32' ' ' LYS 0.266 1.4 mt-10 -90.85 -12.06 37.41 Favored 'General case' 0 C--N 1.364 1.214 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 178.536 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.94 -20.56 56.01 Favored 'General case' 0 C--N 1.369 1.434 0 O-C-N 118.527 -2.608 . . . . 0.0 112.365 175.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.8 28.52 1.14 Allowed 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 125.199 1.4 . . . . 0.0 113.933 169.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.48 ' HD3' ' HA ' ' A' ' 29' ' ' GLU . 2.5 mptm? -102.45 -67.98 0.85 Allowed 'General case' 0 C--N 1.369 1.453 0 C-N-CA 125.144 1.378 . . . . 0.0 110.624 167.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.6 mp0 -88.94 -29.28 19.69 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 124.438 1.095 . . . . 0.0 110.972 -169.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.85 -45.86 8.17 Favored 'General case' 0 C--N 1.36 1.032 0 C-N-CA 124.331 1.052 . . . . 0.0 112.354 171.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.327 36.9 t 89.63 -12.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.367 1.366 0 C-N-CA 126.232 1.813 . . . . 0.0 110.901 174.193 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -160.65 -70.24 0.07 Allowed 'General case' 0 CA--C 1.49 -1.348 0 N-CA-C 104.132 -2.544 . . . . 0.0 104.132 -167.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 97.37 38.58 0.0 OUTLIER 'General case' 0 N--CA 1.439 -1.016 0 C-N-CA 131.19 3.796 . . . . 0.0 108.653 -176.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 70.1 tttt . . . . . 0 C--O 1.268 2.067 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 173.086 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 . . . . . 0 N--CA 1.478 0.957 0 N-CA-C 101.335 -3.579 . . . . 0.0 101.335 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -177.47 -165.94 0.12 Allowed 'General case' 0 N--CA 1.431 -1.378 1 N-CA-C 99.416 -4.29 . . . . 0.0 99.416 -177.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -144.58 -172.97 3.92 Favored 'General case' 0 N--CA 1.433 -1.288 1 N-CA-C 98.199 -4.741 . . . . 0.0 98.199 -174.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -140.11 -70.92 0.38 Allowed 'General case' 0 CA--C 1.496 -1.126 0 N-CA-C 105.922 -1.881 . . . . 0.0 105.922 165.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -162.33 100.54 1.07 Allowed 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 105.668 -1.975 . . . . 0.0 105.668 -170.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.28 108.04 19.4 Favored 'General case' 0 C--N 1.358 0.964 0 C-N-CA 124.496 1.119 . . . . 0.0 108.909 174.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.488 ' HD3' ' H ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -100.57 127.13 47.04 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 126.701 2.001 . . . . 0.0 108.405 -178.199 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -157.26 154.17 28.69 Favored 'General case' 0 N--CA 1.438 -1.058 1 N-CA-C 99.57 -4.233 . . . . 0.0 99.57 -175.776 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.59 88.51 3.44 Favored 'General case' 0 C--N 1.35 0.595 0 C-N-CA 125.183 1.393 . . . . 0.0 107.314 170.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.7 m -173.47 -173.88 0.94 Allowed 'General case' 0 CA--C 1.498 -1.051 0 N-CA-C 101.97 -3.344 . . . . 0.0 101.97 -175.347 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -61.26 -20.23 62.62 Favored 'General case' 0 C--N 1.367 1.358 0 C-N-CA 129.629 3.171 . . . . 0.0 114.956 -178.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -64.35 -28.15 69.5 Favored 'General case' 0 C--N 1.359 1.017 0 C-N-CA 128.535 2.734 . . . . 0.0 114.133 166.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -100.14 -27.39 13.56 Favored 'General case' 0 CA--C 1.492 -1.267 0 O-C-N 120.767 -1.208 . . . . 0.0 109.735 -175.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -75.73 -32.52 60.05 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 128.143 2.577 . . . . 0.0 111.183 177.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.62 -35.82 33.5 Favored 'General case' 0 C--N 1.368 1.401 0 C-N-CA 125.922 1.689 . . . . 0.0 111.442 171.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.52 -28.6 56.44 Favored 'General case' 0 C--N 1.37 1.461 0 C-N-CA 124.408 1.083 . . . . 0.0 112.861 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.49 -21.17 63.7 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 126.944 2.098 . . . . 0.0 114.13 167.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.9 tttt -89.83 -17.47 28.04 Favored 'General case' 0 C--N 1.36 1.023 0 C-N-CA 126.005 1.722 . . . . 0.0 110.431 -171.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -81.63 -10.35 59.44 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 126.835 2.054 . . . . 0.0 111.509 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.19 -27.81 21.59 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 126.026 1.731 . . . . 0.0 112.288 -173.079 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -90.96 -35.15 14.86 Favored 'General case' 0 CA--C 1.498 -1.046 0 C-N-CA 127.255 2.222 . . . . 0.0 111.003 175.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 -87.05 -17.62 32.49 Favored 'General case' 0 CA--C 1.485 -1.52 0 C-N-CA 125.594 1.558 . . . . 0.0 109.624 -166.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.93 -37.26 76.28 Favored 'General case' 0 C--N 1.368 1.407 0 C-N-CA 127.014 2.126 . . . . 0.0 115.165 175.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.0 t -90.86 -6.18 54.56 Favored 'General case' 0 C--N 1.368 1.394 0 O-C-N 121.248 -0.908 . . . . 0.0 113.273 168.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -92.99 0.2 57.35 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 126.091 1.756 . . . . 0.0 113.143 172.244 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -82.98 -6.64 59.56 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 119.798 -1.814 . . . . 0.0 112.471 -163.298 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.06 -24.64 19.97 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 124.544 1.138 . . . . 0.0 112.957 157.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -91.01 -22.33 20.84 Favored 'General case' 0 C--N 1.357 0.923 0 C-N-CA 127.701 2.401 . . . . 0.0 112.82 -164.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -72.37 -25.23 61.44 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 127.564 2.345 . . . . 0.0 110.379 168.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.06 -35.76 18.54 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 126.57 1.948 . . . . 0.0 110.817 -176.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.66 32.6 0.87 Allowed 'General case' 0 C--N 1.368 1.387 0 CA-C-O 122.758 1.266 . . . . 0.0 111.357 170.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.49 -83.17 0.65 Allowed 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 126.813 2.045 . . . . 0.0 108.051 177.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -95.6 -9.55 31.89 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 120.673 -1.267 . . . . 0.0 113.2 -159.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.15 -3.65 56.85 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 125.449 1.5 . . . . 0.0 111.773 170.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.0 t -120.09 -65.28 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.011 0 C-N-CA 124.165 0.986 . . . . 0.0 109.169 -170.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -112.18 -35.72 5.55 Favored 'General case' 0 C--N 1.358 0.935 0 C-N-CA 123.138 0.575 . . . . 0.0 110.697 -161.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 76.06 21.82 1.48 Allowed 'General case' 0 C--N 1.368 1.394 0 C-N-CA 126.305 1.842 . . . . 0.0 113.636 168.619 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt . . . . . 0 C--O 1.266 1.922 0 N-CA-C 103.908 -2.627 . . . . 0.0 103.908 -175.205 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.5 -0.949 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 79.73 6.98 1.82 Allowed 'General case' 0 C--N 1.371 1.535 0 C-N-CA 125.87 1.668 . . . . 0.0 113.517 175.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -164.7 165.85 20.48 Favored 'General case' 0 CA--C 1.489 -1.387 1 N-CA-C 99.965 -4.087 . . . . 0.0 99.965 -171.82 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.37 89.08 2.13 Favored 'General case' 0 CA--C 1.502 -0.872 0 N-CA-C 101.972 -3.344 . . . . 0.0 101.972 177.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -155.4 172.74 17.71 Favored 'General case' 0 CA--C 1.496 -1.098 1 N-CA-C 100.187 -4.005 . . . . 0.0 100.187 -177.18 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.12 -46.53 8.4 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 126.207 1.803 . . . . 0.0 110.717 178.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -99.05 171.72 7.85 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 127.795 2.438 . . . . 0.0 107.471 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -106.26 -15.22 14.9 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 124.807 1.243 . . . . 0.0 110.439 -171.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.92 -161.85 0.89 Allowed 'General case' 0 C--N 1.36 1.039 0 C-N-CA 125.627 1.571 . . . . 0.0 109.559 175.023 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.4 m -134.16 32.66 3.42 Favored 'General case' 0 C--N 1.357 0.896 0 O-C-N 121.592 -0.692 . . . . 0.0 111.28 -171.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -82.11 -28.93 31.98 Favored 'General case' 0 C--N 1.361 1.104 0 CA-C-O 125.278 2.466 . . . . 0.0 110.039 175.184 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -92.61 -16.74 25.27 Favored 'General case' 0 N--CA 1.444 -0.757 1 C-N-CA 132.052 4.141 . . . . 0.0 106.918 -167.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.89 -31.55 19.42 Favored 'General case' 0 C--N 1.363 1.18 0 C-N-CA 127.355 2.262 . . . . 0.0 110.398 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.24 -42.01 16.32 Favored 'General case' 0 C--N 1.36 1.06 0 C-N-CA 127.543 2.337 . . . . 0.0 109.243 -179.573 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -88.33 -1.29 57.94 Favored 'General case' 0 C--N 1.363 1.169 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 -170.125 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.6 -11.42 40.03 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 126.541 1.936 . . . . 0.0 113.427 173.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.54 -29.35 17.93 Favored 'General case' 0 C--N 1.36 1.031 0 O-C-N 120.105 -1.622 . . . . 0.0 111.651 176.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.8 mttm -90.91 -10.53 42.2 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 128.731 2.812 . . . . 0.0 113.141 -176.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.6 ' HA ' ' HB2' ' A' ' 22' ' ' ASN 0.273 52.0 p30 -32.93 -26.26 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.831 1 C-N-CA 133.381 4.672 . . . . 0.0 121.669 -178.114 . . . . . . . . 4 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.16 -33.48 24.23 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 126.225 1.81 . . . . 0.0 110.832 175.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -89.6 -14.12 35.69 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 125.917 1.687 . . . . 0.0 109.575 175.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.6 ' HB2' ' HA ' ' A' ' 19' ' ' ASP . 16.4 t30 -64.21 -18.38 64.46 Favored 'General case' 0 C--N 1.376 1.737 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 -176.523 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.47 -36.48 79.03 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 116.945 2.202 . . . . 0.0 116.945 173.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . 0.282 0.4 OUTLIER -90.92 -29.38 17.49 Favored 'General case' 0 C--N 1.368 1.384 0 O-C-N 120.996 -1.065 . . . . 0.0 113.333 174.298 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -50.9 -25.31 4.42 Favored 'General case' 0 C--N 1.368 1.405 0 C-N-CA 129.291 3.037 . . . . 0.0 118.717 173.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -70.82 -11.31 60.88 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 129.413 3.085 . . . . 0.0 114.059 -168.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.43 -45.8 8.75 Favored 'General case' 0 C--N 1.36 1.038 0 C-N-CA 127.218 2.207 . . . . 0.0 111.449 168.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -65.52 -18.68 65.5 Favored 'General case' 0 C--N 1.379 1.883 0 C-N-CA 131.191 3.796 . . . . 0.0 112.828 -178.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.97 -61.1 2.79 Favored 'General case' 0 C--N 1.374 1.647 0 C-N-CA 127.119 2.168 . . . . 0.0 113.868 170.498 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.35 -38.22 30.93 Favored 'General case' 0 C--N 1.36 1.053 0 C-N-CA 127.589 2.356 . . . . 0.0 110.712 175.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.7 14.96 1.89 Allowed 'General case' 0 C--N 1.364 1.219 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 -179.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.414 ' NZ ' ' OE2' ' A' ' 33' ' ' GLU . 1.8 pptp? -121.09 7.39 10.3 Favored 'General case' 0 C--N 1.368 1.406 0 C-N-CA 124.837 1.255 . . . . 0.0 111.276 157.442 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.414 ' OE2' ' NZ ' ' A' ' 32' ' ' LYS 0.296 15.8 mt-10 -100.22 -42.88 6.5 Favored 'General case' 0 C--N 1.366 1.317 0 O-C-N 120.269 -1.519 . . . . 0.0 112.671 171.757 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.71 -31.26 15.88 Favored 'General case' 0 C--N 1.359 1.0 0 N-CA-C 115.512 1.671 . . . . 0.0 115.512 177.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.8 t -102.8 -15.6 7.84 Favored 'Isoleucine or valine' 0 C--N 1.349 0.554 0 C-N-CA 124.036 0.935 . . . . 0.0 109.936 -163.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -162.42 -168.21 1.79 Allowed 'General case' 0 CA--C 1.488 -1.417 0 N-CA-C 103.436 -2.802 . . . . 0.0 103.436 172.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -168.9 48.77 0.04 OUTLIER 'General case' 0 N--CA 1.439 -0.98 0 N-CA-C 105.654 -1.98 . . . . 0.0 105.654 -177.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.564 1.492 0 C-N-CA 125.896 1.678 . . . . 0.0 110.161 171.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.9 m . . . . . 0 CA--C 1.492 -1.282 1 N-CA-C 99.058 -4.423 . . . . 0.0 99.058 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.18 -0.5 9.9 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 127.19 2.196 . . . . 0.0 114.653 -176.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -83.05 -22.33 33.55 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 128.61 2.764 . . . . 0.0 111.087 171.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.65 -21.99 16.15 Favored 'General case' 0 C--N 1.367 1.351 0 O-C-N 121.339 -0.851 . . . . 0.0 109.989 170.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -80.56 -37.87 30.6 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 126.478 1.911 . . . . 0.0 111.932 -175.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.32 -34.39 25.69 Favored 'General case' 0 C--N 1.369 1.455 0 C-N-CA 123.552 0.741 . . . . 0.0 111.898 -177.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.12 -11.61 59.98 Favored 'General case' 0 C--N 1.361 1.076 0 C-N-CA 127.023 2.129 . . . . 0.0 112.011 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.63 -18.17 25.6 Favored 'General case' 0 C--N 1.357 0.922 0 C-N-CA 127.021 2.128 . . . . 0.0 112.544 168.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -90.29 -43.94 10.03 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 124.054 0.942 . . . . 0.0 109.165 -175.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -89.94 16.5 8.13 Favored 'General case' 0 C--N 1.361 1.087 0 O-C-N 120.645 -1.285 . . . . 0.0 111.047 176.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.82 -36.45 14.23 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 128.497 2.719 . . . . 0.0 113.171 163.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -82.34 -30.09 30.62 Favored 'General case' 0 C--N 1.385 2.121 0 C-N-CA 125.641 1.576 . . . . 0.0 110.32 -177.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -67.93 -23.04 65.03 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 128.274 2.63 . . . . 0.0 112.458 -161.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.35 -30.96 38.02 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 125.003 1.321 . . . . 0.0 112.336 175.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.3 m -90.3 -13.13 35.86 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 126.059 1.744 . . . . 0.0 112.162 177.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.3 mmtm -72.31 -42.37 65.52 Favored 'General case' 0 C--N 1.367 1.35 0 C-N-CA 125.729 1.611 . . . . 0.0 112.004 165.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 . . . . . 0 C--N 1.367 1.356 0 C-N-CA 125.05 1.34 . . . . 0.0 112.547 168.582 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.316 4.7 m . . . . . 0 N--CA 1.473 0.68 0 N-CA-C 116.143 1.905 . . . . 0.0 116.143 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -100.9 -24.56 14.33 Favored 'General case' 0 CA--C 1.505 -0.773 0 C-N-CA 127.936 2.494 . . . . 0.0 109.827 171.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -101.29 -47.05 4.84 Favored 'General case' 0 CA--C 1.495 -1.167 0 C-N-CA 128.11 2.564 . . . . 0.0 109.076 -175.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.67 -17.26 27.13 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 127.397 2.279 . . . . 0.0 111.391 -160.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -90.88 -31.27 16.49 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 129.294 3.037 . . . . 0.0 108.434 173.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -87.35 -30.2 20.97 Favored 'General case' 0 C--N 1.366 1.301 0 C-N-CA 127.367 2.267 . . . . 0.0 110.586 -174.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.43 -15.16 63.52 Favored 'General case' 0 C--N 1.362 1.112 0 C-N-CA 126.36 1.864 . . . . 0.0 113.845 175.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.68 -15.66 29.95 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 128.234 2.614 . . . . 0.0 114.003 171.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.5 mmtm -90.5 -15.06 31.48 Favored 'General case' 0 C--N 1.369 1.416 0 C-N-CA 125.508 1.523 . . . . 0.0 111.758 -177.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.555 ' HA ' ' HB2' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -63.63 0.43 0.78 Allowed 'General case' 0 C--N 1.352 0.704 0 C-N-CA 129.72 3.208 . . . . 0.0 118.231 -163.645 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.4 -39.26 12.09 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 127.87 2.468 . . . . 0.0 112.261 167.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -84.82 -17.96 36.44 Favored 'General case' 0 C--N 1.379 1.863 0 C-N-CA 129.593 3.157 . . . . 0.0 108.535 -176.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.555 ' HB2' ' HA ' ' A' ' 19' ' ' ASP . 0.6 OUTLIER -74.65 -16.31 60.78 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 129.126 2.97 . . . . 0.0 115.078 -171.093 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.06 -50.98 51.8 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 170.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.7 t -91.79 8.44 37.11 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 124.9 1.28 . . . . 0.0 113.216 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -82.11 -23.87 35.46 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 127.293 2.237 . . . . 0.0 110.779 -177.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.1 tp10 . . . . . 0 C--N 1.355 0.826 0 CA-C-O 122.664 1.221 . . . . 0.0 112.161 -178.443 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.2 m . . . . . 0 CA--C 1.5 -0.975 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -92.39 -18.2 23.61 Favored 'General case' 0 C--N 1.361 1.087 0 C-N-CA 127.19 2.196 . . . . 0.0 109.739 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -100.42 -7.72 24.02 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 129.549 3.14 . . . . 0.0 107.981 -169.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -99.39 -14.11 19.29 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 127.106 2.163 . . . . 0.0 110.198 -176.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -84.33 -35.02 23.55 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 126.192 1.797 . . . . 0.0 109.779 178.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.68 -26.57 25.88 Favored 'General case' 0 C--N 1.356 0.871 0 O-C-N 120.359 -1.463 . . . . 0.0 109.679 -175.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.11 -6.69 52.35 Favored 'General case' 0 C--N 1.362 1.113 0 C-N-CA 126.707 2.003 . . . . 0.0 113.494 169.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.49 -27.65 19.08 Favored 'General case' 0 C--N 1.366 1.29 0 C-N-CA 124.401 1.08 . . . . 0.0 109.971 167.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -81.67 -35.99 29.27 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 126.021 1.728 . . . . 0.0 112.291 -172.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -90.07 2.97 54.63 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 124.928 1.291 . . . . 0.0 111.251 176.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.75 -53.51 4.38 Favored 'General case' 0 C--N 1.361 1.108 0 C-N-CA 126.482 1.913 . . . . 0.0 109.659 161.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -61.09 -39.35 89.59 Favored 'General case' 0 C--N 1.386 2.161 0 C-N-CA 128.159 2.584 . . . . 0.0 113.548 -179.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -62.89 -13.02 29.14 Favored 'General case' 0 C--N 1.37 1.493 0 C-N-CA 127.046 2.138 . . . . 0.0 116.018 -178.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.15 -28.89 57.57 Favored 'General case' 0 C--N 1.356 0.891 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 173.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.1 m -90.83 -30.98 16.65 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 125.83 1.652 . . . . 0.0 113.494 176.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -60.76 -8.53 3.07 Favored 'General case' 0 C--N 1.362 1.128 0 C-N-CA 129.993 3.317 . . . . 0.0 116.527 -173.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 . . . . . 0 CA--C 1.54 0.578 0 C-N-CA 127.305 2.242 . . . . 0.0 112.208 171.634 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.5 m . . . . . 0 CA--C 1.498 -1.025 0 N-CA-C 102.117 -3.29 . . . . 0.0 102.117 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.7 -16.35 28.67 Favored 'General case' 0 C--N 1.363 1.178 0 C-N-CA 125.658 1.583 . . . . 0.0 109.553 173.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -71.75 -42.48 67.18 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 127.793 2.437 . . . . 0.0 111.547 -171.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.42 -6.15 59.37 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 126.109 1.763 . . . . 0.0 111.984 -178.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -90.46 -42.22 10.99 Favored 'General case' 0 C--N 1.359 1.006 0 C-N-CA 128.318 2.647 . . . . 0.0 109.427 172.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.6 -43.53 18.52 Favored 'General case' 0 C--N 1.362 1.114 0 C-N-CA 126.835 2.054 . . . . 0.0 111.76 -176.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.85 -15.61 61.61 Favored 'General case' 0 C--N 1.37 1.471 0 C-N-CA 126.507 1.923 . . . . 0.0 112.866 -177.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.09 -24.49 30.32 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 128.078 2.551 . . . . 0.0 112.223 173.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -91.19 -24.8 19.81 Favored 'General case' 0 C--N 1.373 1.623 0 C-N-CA 124.937 1.295 . . . . 0.0 112.601 -178.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -88.13 16.7 5.8 Favored 'General case' 0 C--N 1.363 1.175 0 O-C-N 120.769 -1.207 . . . . 0.0 111.205 176.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.71 -36.63 14.21 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 126.196 1.798 . . . . 0.0 110.658 169.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -90.97 -47.0 7.83 Favored 'General case' 0 C--N 1.37 1.465 0 C-N-CA 127.713 2.405 . . . . 0.0 107.808 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -68.13 -10.01 50.84 Favored 'General case' 0 C--N 1.373 1.603 0 C-N-CA 128.335 2.654 . . . . 0.0 114.418 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.7 -41.9 64.78 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 124.818 1.247 . . . . 0.0 112.537 174.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.5 m -91.26 -16.63 27.28 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 124.345 1.058 . . . . 0.0 113.424 -177.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm -64.09 -24.28 67.64 Favored 'General case' 0 C--N 1.365 1.26 0 C-N-CA 126.276 1.83 . . . . 0.0 115.728 -178.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 . . . . . 0 C--N 1.372 1.562 0 C-N-CA 128.474 2.71 . . . . 0.0 113.44 166.278 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.9 m . . . . . 0 N--CA 1.435 -1.207 1 N-CA-C 97.64 -4.948 . . . . 0.0 97.64 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -71.45 -26.39 62.7 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 127.036 2.134 . . . . 0.0 114.072 -167.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -76.08 -17.94 59.42 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 127.422 2.289 . . . . 0.0 113.38 173.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -95.19 -29.85 14.32 Favored 'General case' 0 C--N 1.362 1.123 0 O-C-N 120.727 -1.233 . . . . 0.0 109.067 170.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.5 -40.92 22.49 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 126.002 1.721 . . . . 0.0 111.463 -171.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.76 -28.45 36.44 Favored 'General case' 0 C--N 1.367 1.37 0 C-N-CA 125.339 1.456 . . . . 0.0 111.955 -179.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.27 -2.95 40.44 Favored 'General case' 0 C--N 1.367 1.341 0 C-N-CA 124.908 1.283 . . . . 0.0 113.861 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.36 -28.68 18.54 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 125.895 1.678 . . . . 0.0 111.819 167.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -90.36 -36.15 14.8 Favored 'General case' 0 C--N 1.362 1.139 0 C-N-CA 126.973 2.109 . . . . 0.0 111.164 -174.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.96 -8.83 59.55 Favored 'General case' 0 C--N 1.368 1.407 0 C-N-CA 125.604 1.562 . . . . 0.0 111.808 178.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.94 -31.87 25.37 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 127.777 2.431 . . . . 0.0 111.593 174.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.56 -25.66 20.1 Favored 'General case' 0 C--N 1.374 1.662 0 C-N-CA 124.402 1.081 . . . . 0.0 111.623 176.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -77.89 1.02 21.84 Favored 'General case' 0 C--N 1.368 1.398 0 C-N-CA 126.485 1.914 . . . . 0.0 113.169 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.27 -33.45 24.02 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 126.389 1.876 . . . . 0.0 112.172 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.2 t -90.98 -35.55 14.61 Favored 'General case' 0 C--N 1.368 1.394 0 C-N-CA 124.37 1.068 . . . . 0.0 110.313 173.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -52.18 -29.39 22.13 Favored 'General case' 0 C--N 1.365 1.274 0 N-CA-C 116.467 2.025 . . . . 0.0 116.467 -177.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--N 1.353 0.734 0 C-N-CA 129.984 3.313 . . . . 0.0 114.419 174.437 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.1 m . . . . . 0 CA--C 1.504 -0.799 0 CA-C-O 121.072 0.463 . . . . 0.0 109.799 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -100.42 -38.64 8.33 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 124.841 1.256 . . . . 0.0 110.332 -168.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.7 -25.39 60.2 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 131.112 3.765 . . . . 0.0 110.69 -173.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.52 -16.84 31.62 Favored 'General case' 0 C--N 1.364 1.229 0 C-N-CA 128.135 2.574 . . . . 0.0 111.673 176.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -90.9 -49.87 6.19 Favored 'General case' 0 C--N 1.373 1.612 0 C-N-CA 125.044 1.338 . . . . 0.0 108.916 172.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -64.95 -33.2 75.47 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 125.356 1.462 . . . . 0.0 112.799 -169.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.64 -13.97 26.92 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 126.842 2.057 . . . . 0.0 115.837 169.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.92 -27.04 19.0 Favored 'General case' 0 C--N 1.365 1.274 0 C-N-CA 125.548 1.539 . . . . 0.0 113.117 171.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -90.07 -24.02 21.26 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 126.915 2.086 . . . . 0.0 111.004 178.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -79.24 5.9 11.14 Favored 'General case' 0 C--N 1.36 1.052 0 C-N-CA 127.262 2.225 . . . . 0.0 112.479 177.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.14 -34.02 16.02 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 127.308 2.243 . . . . 0.0 110.592 163.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -90.09 -32.14 16.83 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 125.333 1.453 . . . . 0.0 109.033 -174.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -77.23 -0.44 25.24 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 129.066 2.946 . . . . 0.0 113.487 167.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -90.44 -51.1 5.58 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 124.659 1.183 . . . . 0.0 109.992 169.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.4 p -90.71 12.64 18.48 Favored 'General case' 0 C--N 1.356 0.891 0 N-CA-C 115.649 1.722 . . . . 0.0 115.649 -178.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.54 -25.96 28.37 Favored 'General case' 0 C--N 1.363 1.162 0 O-C-N 120.373 -1.454 . . . . 0.0 110.512 178.097 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 . . . . . 0 C--N 1.359 1.015 0 C-N-CA 127.204 2.202 . . . . 0.0 111.909 169.325 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.1 m . . . . . 0 CA--C 1.491 -1.3 1 N-CA-C 100.031 -4.062 . . . . 0.0 100.031 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -51.03 -31.56 18.82 Favored 'General case' 0 C--N 1.368 1.383 0 C-N-CA 130.006 3.322 . . . . 0.0 114.857 175.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.23 -43.04 92.37 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 130.085 3.354 . . . . 0.0 115.196 171.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.99 -26.13 16.95 Favored 'General case' 0 CA--C 1.491 -1.315 0 C-N-CA 124.95 1.3 . . . . 0.0 108.31 -173.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.74 -24.72 35.93 Favored 'General case' 0 C--N 1.365 1.254 0 C-N-CA 124.638 1.175 . . . . 0.0 111.219 179.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.07 -38.19 13.74 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 125.257 1.423 . . . . 0.0 112.104 175.378 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.92 -25.77 53.32 Favored 'General case' 0 C--N 1.365 1.253 0 CA-C-O 122.171 0.986 . . . . 0.0 112.533 -174.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.07 -8.41 51.5 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 123.994 0.918 . . . . 0.0 111.519 176.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.4 tttm -82.62 -42.05 18.72 Favored 'General case' 0 C--N 1.362 1.149 0 C-N-CA 125.898 1.679 . . . . 0.0 109.188 -176.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -75.06 -31.91 61.37 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 127.705 2.402 . . . . 0.0 110.856 175.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.27 -28.63 18.68 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 125.566 1.547 . . . . 0.0 113.901 -173.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -90.13 -18.57 25.58 Favored 'General case' 0 C--N 1.37 1.499 0 CA-C-N 120.31 1.414 . . . . 0.0 112.106 172.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -79.6 -28.72 41.01 Favored 'General case' 0 C--N 1.366 1.287 0 CA-C-N 120.422 1.464 . . . . 0.0 112.131 -176.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.66 -27.34 63.96 Favored 'General case' 0 C--N 1.36 1.028 0 C-N-CA 124.841 1.256 . . . . 0.0 113.254 -176.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -90.93 -7.8 51.1 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 126.09 1.756 . . . . 0.0 112.977 173.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -91.01 -29.08 17.58 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 127.763 2.425 . . . . 0.0 110.992 173.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 . . . . . 0 C--N 1.372 1.555 0 C-N-CA 126.842 2.057 . . . . 0.0 112.061 172.15 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.7 m . . . . . 0 CA--C 1.493 -1.215 0 N-CA-C 101.063 -3.68 . . . . 0.0 101.063 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -56.53 -33.15 65.8 Favored 'General case' 0 C--N 1.373 1.625 0 C-N-CA 127.789 2.436 . . . . 0.0 114.556 -175.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -72.37 -10.01 59.23 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 129.86 3.264 . . . . 0.0 114.613 175.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.12 -27.37 12.6 Favored 'General case' 0 CA--C 1.502 -0.894 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 176.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -87.65 -30.69 20.24 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 126.212 1.805 . . . . 0.0 109.684 -173.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -83.28 -27.67 29.68 Favored 'General case' 0 C--N 1.365 1.25 0 C-N-CA 130.223 3.409 . . . . 0.0 110.791 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.93 -1.52 57.82 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 125.084 1.354 . . . . 0.0 112.911 174.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.81 -22.71 20.87 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 126.121 1.768 . . . . 0.0 111.502 164.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.8 mttp -87.17 -21.13 26.11 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 126.642 1.977 . . . . 0.0 111.088 -155.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -91.4 -8.73 47.1 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 127.22 2.208 . . . . 0.0 113.774 171.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.71 -28.09 18.55 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 125.369 1.468 . . . . 0.0 111.448 177.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.02 -35.64 25.64 Favored 'General case' 0 C--N 1.368 1.398 0 C-N-CA 125.078 1.351 . . . . 0.0 109.376 172.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 -78.53 13.19 1.68 Allowed 'General case' 0 C--N 1.364 1.227 0 C-N-CA 125.054 1.341 . . . . 0.0 114.39 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.6 -27.61 21.23 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 125.709 1.604 . . . . 0.0 112.035 168.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.2 p -90.41 -31.79 16.69 Favored 'General case' 0 C--N 1.369 1.436 0 CA-C-O 123.263 1.506 . . . . 0.0 110.16 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -82.88 24.76 0.72 Allowed 'General case' 0 C--N 1.355 0.811 0 C-N-CA 129.224 3.01 . . . . 0.0 112.273 175.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 . . . . . 0 C--N 1.358 0.952 0 C-N-CA 129.31 3.044 . . . . 0.0 106.961 163.187 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.2 m . . . . . 0 CA--C 1.495 -1.15 1 N-CA-C 97.368 -5.049 . . . . 0.0 97.368 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -71.08 -28.74 64.56 Favored 'General case' 0 C--N 1.36 1.028 0 C-N-CA 127.699 2.4 . . . . 0.0 112.418 -176.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -83.87 5.75 24.09 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 126.904 2.082 . . . . 0.0 113.497 175.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.61 -25.72 13.07 Favored 'General case' 0 C--N 1.365 1.245 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 158.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -86.85 -44.79 11.43 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 126.144 1.777 . . . . 0.0 109.436 -162.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.5 tp60 -65.04 -24.29 67.43 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 130.485 3.514 . . . . 0.0 112.839 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.09 -19.35 32.01 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 126.54 1.936 . . . . 0.0 111.916 174.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.76 -24.32 20.4 Favored 'General case' 0 C--N 1.371 1.519 0 O-C-N 121.147 -0.971 . . . . 0.0 110.394 170.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.7 mttp -77.87 -18.68 55.94 Favored 'General case' 0 C--N 1.368 1.401 0 C-N-CA 127.742 2.417 . . . . 0.0 111.699 -173.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -81.96 -26.62 33.8 Favored 'General case' 0 C--N 1.358 0.935 0 C-N-CA 126.287 1.835 . . . . 0.0 111.035 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.52 -29.76 23.96 Favored 'General case' 0 C--N 1.359 0.991 0 C-N-CA 125.574 1.55 . . . . 0.0 112.435 -177.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.97 -6.65 55.44 Favored 'General case' 0 C--N 1.36 1.054 0 C-N-CA 125.022 1.329 . . . . 0.0 112.352 171.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -85.14 -16.64 39.77 Favored 'General case' 0 C--N 1.37 1.48 0 C-N-CA 127.267 2.227 . . . . 0.0 111.63 176.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.0 -21.88 66.43 Favored 'General case' 0 C--N 1.361 1.077 0 N-CA-C 116.022 1.86 . . . . 0.0 116.022 177.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.9 m -91.06 -17.71 25.78 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 125.878 1.671 . . . . 0.0 113.7 172.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -90.78 -24.15 20.43 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 129.279 3.032 . . . . 0.0 111.556 -170.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 . . . . . 0 C--N 1.368 1.377 0 C-N-CA 127.141 2.176 . . . . 0.0 112.601 173.888 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.5 t . . . . . 0 N--CA 1.439 -0.99 1 N-CA-C 98.389 -4.671 . . . . 0.0 98.389 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.43 -31.36 63.79 Favored 'General case' 0 CA--C 1.487 -1.454 0 C-N-CA 129.673 3.189 . . . . 0.0 112.147 -163.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -86.11 -17.72 34.29 Favored 'General case' 0 CA--C 1.504 -0.817 0 C-N-CA 124.153 0.981 . . . . 0.0 110.497 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.63 -30.99 24.46 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 123.714 0.806 . . . . 0.0 110.734 168.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -89.88 -40.76 12.21 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 125.355 1.462 . . . . 0.0 111.851 -171.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.427 ' O ' ' HB2' ' A' ' 19' ' ' ASP . 5.2 tp-100 -69.13 -22.86 63.93 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 126.407 1.883 . . . . 0.0 109.482 177.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.16 -0.24 35.16 Favored 'General case' 0 C--N 1.358 0.939 0 C-N-CA 125.678 1.591 . . . . 0.0 114.042 171.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.51 -43.96 9.37 Favored 'General case' 0 C--N 1.37 1.467 0 C-N-CA 124.529 1.132 . . . . 0.0 109.733 159.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -83.11 -21.11 33.75 Favored 'General case' 0 C--N 1.356 0.889 0 C-N-CA 126.499 1.92 . . . . 0.0 112.942 -168.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.427 ' HB2' ' O ' ' A' ' 15' ' ' GLN . 1.4 t70 -82.07 -0.8 46.21 Favored 'General case' 0 C--N 1.362 1.126 0 O-C-N 120.037 -1.664 . . . . 0.0 111.829 179.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.55 -21.8 21.6 Favored 'General case' 0 C--N 1.363 1.154 0 C-N-CA 127.407 2.283 . . . . 0.0 112.18 161.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -90.7 -24.52 20.41 Favored 'General case' 0 C--N 1.375 1.712 0 C-N-CA 125.307 1.443 . . . . 0.0 110.088 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -69.4 -31.61 70.09 Favored 'General case' 0 C--N 1.366 1.319 0 C-N-CA 129.773 3.229 . . . . 0.0 112.667 175.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.65 -30.82 64.62 Favored 'General case' 0 C--N 1.36 1.057 0 CA-C-N 121.092 1.769 . . . . 0.0 114.529 -171.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.8 t -90.87 0.76 57.4 Favored 'General case' 0 C--N 1.358 0.958 0 C-N-CA 125.067 1.347 . . . . 0.0 111.61 170.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.81 -8.84 48.53 Favored 'General case' 0 C--N 1.369 1.448 0 C-N-CA 127.493 2.317 . . . . 0.0 109.153 172.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 . . . . . 0 C--N 1.36 1.064 0 C-N-CA 127.288 2.235 . . . . 0.0 111.865 171.232 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.7 m . . . . . 0 N--CA 1.442 -0.864 0 N-CA-C 101.524 -3.51 . . . . 0.0 101.524 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -63.16 -18.55 63.59 Favored 'General case' 0 C--N 1.366 1.312 0 C-N-CA 127.83 2.452 . . . . 0.0 114.733 -173.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -86.76 -2.92 58.94 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 119.948 -1.72 . . . . 0.0 112.679 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.98 -39.25 4.27 Favored 'General case' 0 CA--C 1.499 -0.998 0 N-CA-C 106.649 -1.611 . . . . 0.0 106.649 159.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -74.49 -27.03 60.38 Favored 'General case' 0 C--N 1.363 1.155 0 C-N-CA 126.684 1.994 . . . . 0.0 115.199 -169.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -74.97 -28.18 60.46 Favored 'General case' 0 C--N 1.372 1.584 0 O-C-N 119.4 -2.062 . . . . 0.0 111.045 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.58 -6.6 58.83 Favored 'General case' 0 C--N 1.363 1.171 0 C-N-CA 126.613 1.965 . . . . 0.0 113.821 178.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.12 -30.41 16.73 Favored 'General case' 0 C--N 1.364 1.234 0 CA-C-O 122.531 1.158 . . . . 0.0 110.902 164.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.1 tttp -79.27 -20.46 48.02 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 125.492 1.517 . . . . 0.0 111.058 -163.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -90.15 -3.72 57.71 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 124.224 1.01 . . . . 0.0 111.582 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.13 -37.25 13.5 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 126.768 2.027 . . . . 0.0 112.013 168.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -82.18 -26.97 32.93 Favored 'General case' 0 C--N 1.371 1.539 0 C-N-CA 126.959 2.104 . . . . 0.0 111.557 178.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -63.77 -17.63 63.25 Favored 'General case' 0 C--N 1.378 1.84 0 C-N-CA 127.312 2.245 . . . . 0.0 114.799 173.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.55 -31.95 63.92 Favored 'General case' 0 C--N 1.364 1.2 0 C-N-CA 125.453 1.501 . . . . 0.0 113.072 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.57 -6.42 54.71 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 126.353 1.861 . . . . 0.0 112.293 173.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.8 tmtm? -90.25 -28.1 19.05 Favored 'General case' 0 C--N 1.361 1.093 0 O-C-N 119.695 -1.878 . . . . 0.0 111.569 -172.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.373 1.61 0 C-N-CA 127.009 2.124 . . . . 0.0 112.439 -174.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.2 m . . . . . 0 CA--C 1.496 -1.096 0 N-CA-C 101.918 -3.364 . . . . 0.0 101.918 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -70.09 -15.34 62.97 Favored 'General case' 0 C--N 1.363 1.178 0 C-N-CA 125.19 1.396 . . . . 0.0 113.539 -172.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -69.75 -22.36 63.37 Favored 'General case' 0 C--N 1.359 1.019 0 C-N-CA 126.978 2.111 . . . . 0.0 114.472 164.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.23 -14.01 21.66 Favored 'General case' 0 C--N 1.365 1.272 0 O-C-N 119.307 -2.12 . . . . 0.0 109.415 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 -90.68 -35.31 15.01 Favored 'General case' 0 N--CA 1.433 -1.277 0 C-N-CA 127.782 2.433 . . . . 0.0 111.667 173.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -81.51 -43.46 18.76 Favored 'General case' 0 C--N 1.366 1.321 0 C-N-CA 126.657 1.983 . . . . 0.0 112.636 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.05 -5.56 49.31 Favored 'General case' 0 C--N 1.366 1.283 0 O-C-N 120.314 -1.492 . . . . 0.0 112.541 -177.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.58 -20.87 22.11 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 128.932 2.893 . . . . 0.0 111.161 166.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -90.89 -26.66 19.23 Favored 'General case' 0 C--N 1.361 1.108 0 C-N-CA 126.231 1.813 . . . . 0.0 111.076 -176.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -90.3 -2.35 58.0 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 120.571 -1.331 . . . . 0.0 110.193 -176.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.23 -31.2 17.1 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 126.56 1.944 . . . . 0.0 111.428 171.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -90.34 -13.58 34.85 Favored 'General case' 0 C--N 1.373 1.607 0 C-N-CA 125.712 1.605 . . . . 0.0 111.278 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.417 ' HA ' ' HB2' ' A' ' 25' ' ' LYS . 17.8 m-20 -82.31 -12.45 57.99 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 126.459 1.904 . . . . 0.0 111.604 -177.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.57 -35.81 63.04 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 124.595 1.158 . . . . 0.0 113.609 -177.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.5 p -89.99 -8.0 52.66 Favored 'General case' 0 C--N 1.359 0.993 0 C-N-CA 126.248 1.819 . . . . 0.0 110.791 175.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 22' ' ' ASN . 1.5 mptm? -90.58 -11.64 39.39 Favored 'General case' 0 C--N 1.349 0.555 0 C-N-CA 127.065 2.146 . . . . 0.0 114.047 174.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 . . . . . 0 C--N 1.364 1.231 0 C-N-CA 124.115 0.966 . . . . 0.0 110.978 156.605 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.5 m . . . . . 0 CA--C 1.501 -0.923 0 N-CA-C 104.588 -2.375 . . . . 0.0 104.588 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.573 ' HA ' ' HB2' ' A' ' 14' ' ' GLU . 16.1 pt20 -88.83 -13.33 39.57 Favored 'General case' 0 C--N 1.368 1.406 0 C-N-CA 123.78 0.832 . . . . 0.0 111.391 -172.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.7 -4.64 56.78 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 130.865 3.666 . . . . 0.0 110.745 172.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.33 -14.49 13.3 Favored 'General case' 0 N--CA 1.437 -1.12 0 C-N-CA 126.844 2.058 . . . . 0.0 107.766 176.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.573 ' HB2' ' HA ' ' A' ' 11' ' ' GLN . 0.5 OUTLIER -90.61 -43.81 9.93 Favored 'General case' 0 C--N 1.365 1.254 0 C-N-CA 128.609 2.764 . . . . 0.0 107.649 177.246 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -62.34 -10.57 11.58 Favored 'General case' 0 C--N 1.367 1.361 0 C-N-CA 129.114 2.966 . . . . 0.0 116.23 -178.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.51 -19.3 31.39 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 119.979 -1.7 . . . . 0.0 114.569 165.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.9 -38.89 12.03 Favored 'General case' 0 C--N 1.363 1.182 0 C-N-CA 125.696 1.599 . . . . 0.0 111.88 165.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.1 tttp -87.35 -9.0 56.0 Favored 'General case' 0 C--N 1.374 1.658 0 C-N-CA 128.409 2.683 . . . . 0.0 112.236 -159.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.28 14.14 4.64 Favored 'General case' 0 C--N 1.365 1.244 0 O-C-N 120.29 -1.506 . . . . 0.0 111.737 175.554 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.56 -44.93 9.24 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 129.636 3.174 . . . . 0.0 111.671 167.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.85 -13.05 34.48 Favored 'General case' 0 C--N 1.381 1.964 0 C-N-CA 125.727 1.611 . . . . 0.0 111.616 -173.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.8 m-20 -62.37 -25.59 68.0 Favored 'General case' 0 C--N 1.372 1.561 0 C-N-CA 128.153 2.581 . . . . 0.0 112.257 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.21 -31.77 70.58 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 128.405 2.682 . . . . 0.0 114.489 174.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.88 -16.71 27.72 Favored 'General case' 0 C--N 1.354 0.8 0 C-N-CA 125.923 1.689 . . . . 0.0 113.062 171.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -90.28 -14.44 33.25 Favored 'General case' 0 C--N 1.351 0.647 0 C-N-CA 124.115 0.966 . . . . 0.0 113.126 177.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 . . . . . 0 C--N 1.369 1.424 0 C-N-CA 125.811 1.645 . . . . 0.0 109.959 167.439 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.285 20.2 m . . . . . 0 CA--C 1.511 -0.527 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -84.66 -33.77 23.16 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 125.903 1.681 . . . . 0.0 111.498 -175.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.7 -9.57 59.66 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 128.244 2.618 . . . . 0.0 111.346 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.35 -21.45 18.97 Favored 'General case' 0 C--N 1.356 0.877 0 C-N-CA 125.407 1.483 . . . . 0.0 110.039 179.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -91.81 -45.96 8.12 Favored 'General case' 0 C--N 1.364 1.217 0 C-N-CA 126.715 2.006 . . . . 0.0 109.859 176.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -73.67 -20.95 60.41 Favored 'General case' 0 C--N 1.364 1.204 0 C-N-CA 126.28 1.832 . . . . 0.0 112.209 -170.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.93 -24.13 66.05 Favored 'General case' 0 C--N 1.362 1.115 0 C-N-CA 125.426 1.49 . . . . 0.0 114.688 166.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.66 -19.56 26.04 Favored 'General case' 0 C--N 1.372 1.558 0 CA-C-N 120.274 1.397 . . . . 0.0 113.455 178.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -88.82 -24.35 22.6 Favored 'General case' 0 C--N 1.361 1.075 0 O-C-N 121.001 -1.062 . . . . 0.0 111.262 -173.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.27 12.4 2.94 Favored 'General case' 0 C--N 1.36 1.037 0 C-N-CA 125.841 1.657 . . . . 0.0 114.605 -172.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.58 -30.26 17.32 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 128.695 2.798 . . . . 0.0 111.339 166.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -90.67 -33.98 15.6 Favored 'General case' 0 C--N 1.368 1.411 0 C-N-CA 126.683 1.993 . . . . 0.0 108.681 175.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -73.38 -5.79 42.06 Favored 'General case' 0 C--N 1.371 1.521 0 C-N-CA 125.024 1.33 . . . . 0.0 113.83 -177.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.07 -29.93 58.15 Favored 'General case' 0 C--N 1.355 0.819 0 O-C-N 120.762 -1.211 . . . . 0.0 112.671 178.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.0 t -91.62 -26.44 18.69 Favored 'General case' 0 C--N 1.365 1.265 0 C-N-CA 124.641 1.176 . . . . 0.0 110.878 165.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -89.15 23.45 2.44 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 125.722 1.609 . . . . 0.0 113.186 -177.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.36 1.023 0 C-N-CA 127.147 2.179 . . . . 0.0 111.526 175.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.9 m . . . . . 0 CA--C 1.512 -0.481 0 CA-C-O 120.876 0.369 . . . . 0.0 111.818 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -88.75 -32.71 17.78 Favored 'General case' 0 C--N 1.362 1.152 0 C-N-CA 130.532 3.533 . . . . 0.0 109.725 177.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -92.57 7.46 43.19 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 127.763 2.425 . . . . 0.0 109.373 -174.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.47 -9.36 10.87 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 127.009 2.123 . . . . 0.0 108.527 169.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -90.84 -39.42 12.35 Favored 'General case' 0 C--N 1.371 1.514 0 CA-C-N 119.18 0.9 . . . . 0.0 109.452 173.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.4 tm0? -76.03 -44.73 37.87 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 125.32 1.448 . . . . 0.0 111.433 -175.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.97 4.84 31.79 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 125.487 1.515 . . . . 0.0 112.247 179.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.27 -22.37 20.61 Favored 'General case' 0 C--N 1.358 0.959 0 C-N-CA 127.15 2.18 . . . . 0.0 111.98 159.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -88.16 -36.05 17.06 Favored 'General case' 0 C--N 1.376 1.741 0 C-N-CA 124.811 1.245 . . . . 0.0 110.605 -164.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -88.96 26.3 1.59 Allowed 'General case' 0 C--N 1.362 1.11 0 C-N-CA 127.661 2.384 . . . . 0.0 111.414 -171.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.46 -52.66 4.8 Favored 'General case' 0 N--CA 1.439 -0.997 0 C-N-CA 128.399 2.679 . . . . 0.0 109.144 157.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -90.53 -34.37 15.56 Favored 'General case' 0 C--N 1.364 1.2 0 C-N-CA 126.693 1.997 . . . . 0.0 110.251 -168.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -70.73 -21.64 62.52 Favored 'General case' 0 C--N 1.359 0.993 0 C-N-CA 129.914 3.286 . . . . 0.0 111.63 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.36 -24.88 50.63 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 125.975 1.71 . . . . 0.0 113.414 -177.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.4 m -90.9 -22.68 20.78 Favored 'General case' 0 C--N 1.36 1.023 0 C-N-CA 125.905 1.682 . . . . 0.0 111.518 170.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -79.31 -29.8 42.55 Favored 'General case' 0 C--N 1.368 1.401 0 C-N-CA 126.175 1.79 . . . . 0.0 111.003 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 . . . . . 0 C--N 1.369 1.419 0 C-N-CA 129.006 2.922 . . . . 0.0 113.635 167.069 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.493 -1.234 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -83.58 -6.01 59.33 Favored 'General case' 0 C--N 1.349 0.582 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -170.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -99.59 -30.02 12.37 Favored 'General case' 0 C--N 1.363 1.183 0 CA-C-O 123.47 1.605 . . . . 0.0 108.442 173.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.57 -27.44 25.52 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 128.417 2.687 . . . . 0.0 111.435 -169.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.26 -14.03 34.14 Favored 'General case' 0 C--N 1.365 1.268 0 C-N-CA 125.483 1.513 . . . . 0.0 111.511 172.106 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.23 -36.71 14.59 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 126.949 2.1 . . . . 0.0 111.189 -179.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.56 -20.24 65.97 Favored 'General case' 0 C--N 1.366 1.294 0 C-N-CA 125.079 1.352 . . . . 0.0 114.08 -176.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.44 -16.4 34.95 Favored 'General case' 0 C--N 1.361 1.075 0 C-N-CA 126.011 1.724 . . . . 0.0 111.519 171.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -81.95 -31.46 31.24 Favored 'General case' 0 C--N 1.369 1.448 0 O-C-N 120.69 -1.257 . . . . 0.0 109.329 179.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -85.78 2.48 45.45 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 125.01 1.324 . . . . 0.0 112.074 175.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.54 -37.54 13.79 Favored 'General case' 0 C--N 1.367 1.348 0 C-N-CA 126.283 1.833 . . . . 0.0 110.762 163.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -86.44 -45.31 11.27 Favored 'General case' 0 C--N 1.376 1.732 0 C-N-CA 125.064 1.346 . . . . 0.0 111.357 -174.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -64.86 -10.3 27.41 Favored 'General case' 0 C--N 1.371 1.53 0 C-N-CA 130.416 3.486 . . . . 0.0 112.728 177.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.66 -30.79 59.53 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 126.515 1.926 . . . . 0.0 112.369 178.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.7 t -91.14 -21.62 21.08 Favored 'General case' 0 C--N 1.362 1.119 0 C-N-CA 125.596 1.558 . . . . 0.0 112.974 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -69.01 -22.53 64.07 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 126.336 1.855 . . . . 0.0 114.608 -168.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 . . . . . 0 C--N 1.361 1.079 0 C-N-CA 127.254 2.221 . . . . 0.0 112.401 172.669 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.7 m . . . . . 0 CA--C 1.488 -1.412 1 N-CA-C 99.455 -4.276 . . . . 0.0 99.455 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -64.02 -20.83 66.2 Favored 'General case' 0 C--N 1.372 1.558 0 C-N-CA 128.283 2.633 . . . . 0.0 113.796 -179.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -76.53 -17.23 59.36 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 128.264 2.625 . . . . 0.0 111.454 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.18 -16.74 15.63 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 124.841 1.256 . . . . 0.0 108.687 174.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.83 -33.42 19.85 Favored 'General case' 0 C--N 1.369 1.442 0 C-N-CA 126.319 1.847 . . . . 0.0 110.982 179.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -71.57 -41.01 69.57 Favored 'General case' 0 C--N 1.366 1.292 0 C-N-CA 128.121 2.568 . . . . 0.0 110.407 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.29 -15.01 60.98 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 128.404 2.682 . . . . 0.0 111.966 -179.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.53 -20.72 22.34 Favored 'General case' 0 C--N 1.365 1.281 0 C-N-CA 125.724 1.61 . . . . 0.0 112.42 175.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -88.85 -33.34 17.4 Favored 'General case' 0 C--N 1.368 1.401 0 O-C-N 120.772 -1.205 . . . . 0.0 111.368 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -85.6 2.3 45.63 Favored 'General case' 0 C--N 1.362 1.148 0 C-N-CA 124.333 1.053 . . . . 0.0 111.468 175.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.62 -37.75 13.59 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 126.829 2.052 . . . . 0.0 111.062 173.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -89.96 -21.29 22.51 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 124.25 1.02 . . . . 0.0 111.79 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -61.4 -36.31 79.93 Favored 'General case' 0 C--N 1.366 1.302 0 C-N-CA 125.14 1.376 . . . . 0.0 113.949 176.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.62 -18.82 62.19 Favored 'General case' 0 C--N 1.369 1.421 0 C-N-CA 125.819 1.648 . . . . 0.0 115.002 178.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.4 m -90.99 -17.8 25.69 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 125.451 1.501 . . . . 0.0 111.113 170.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -89.52 -32.08 17.34 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 126.707 2.003 . . . . 0.0 110.242 -173.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 . . . . . 0 C--N 1.365 1.278 0 O-C-N 120.812 -1.18 . . . . 0.0 111.591 170.751 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 65.1 m . . . . . 0 CA--C 1.481 -1.705 0 N-CA-C 102.173 -3.269 . . . . 0.0 102.173 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -65.97 -22.67 66.49 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 127.989 2.515 . . . . 0.0 113.486 -165.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -62.77 -30.62 71.59 Favored 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 127.543 2.337 . . . . 0.0 114.967 170.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -92.59 -40.77 10.59 Favored 'General case' 0 C--N 1.361 1.102 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -81.03 -21.19 40.35 Favored 'General case' 0 C--N 1.361 1.07 0 C-N-CA 125.864 1.666 . . . . 0.0 113.164 -174.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -82.36 -40.11 21.82 Favored 'General case' 0 C--N 1.365 1.259 0 C-N-CA 126.751 2.021 . . . . 0.0 112.458 170.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.4 -34.84 73.01 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 123.894 0.878 . . . . 0.0 112.831 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.6 -14.76 61.69 Favored 'General case' 0 C--N 1.363 1.192 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 173.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -79.93 -28.6 39.69 Favored 'General case' 0 C--N 1.363 1.166 0 C-N-CA 127.104 2.162 . . . . 0.0 112.095 -174.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -75.61 -7.98 55.64 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 128.535 2.734 . . . . 0.0 112.948 -172.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.77 -36.44 14.27 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 126.604 1.962 . . . . 0.0 112.047 178.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.58 -43.62 10.08 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 125.553 1.541 . . . . 0.0 110.635 176.286 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -71.91 -0.74 12.14 Favored 'General case' 0 C--N 1.372 1.575 0 C-N-CA 125.372 1.469 . . . . 0.0 113.547 -174.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.08 -26.62 25.2 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 127.866 2.466 . . . . 0.0 110.541 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.12 -13.53 38.29 Favored 'General case' 0 C--N 1.363 1.174 0 C-N-CA 125.363 1.465 . . . . 0.0 112.509 173.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.2 mttp -86.29 -16.18 38.33 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 127.753 2.421 . . . . 0.0 113.486 -175.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 . . . . . 0 C--N 1.354 0.783 0 C-N-CA 124.847 1.259 . . . . 0.0 111.981 168.387 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.7 m . . . . . 0 CA--C 1.498 -1.051 0 N-CA-C 101.97 -3.344 . . . . 0.0 101.97 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -61.26 -20.23 62.62 Favored 'General case' 0 C--N 1.367 1.358 0 C-N-CA 129.629 3.171 . . . . 0.0 114.956 -178.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -64.35 -28.15 69.5 Favored 'General case' 0 C--N 1.359 1.017 0 C-N-CA 128.535 2.734 . . . . 0.0 114.133 166.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -100.14 -27.39 13.56 Favored 'General case' 0 CA--C 1.492 -1.267 0 O-C-N 120.767 -1.208 . . . . 0.0 109.735 -175.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -75.73 -32.52 60.05 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 128.143 2.577 . . . . 0.0 111.183 177.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.62 -35.82 33.5 Favored 'General case' 0 C--N 1.368 1.401 0 C-N-CA 125.922 1.689 . . . . 0.0 111.442 171.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.52 -28.6 56.44 Favored 'General case' 0 C--N 1.37 1.461 0 C-N-CA 124.408 1.083 . . . . 0.0 112.861 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.49 -21.17 63.7 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 126.944 2.098 . . . . 0.0 114.13 167.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.9 tttt -89.83 -17.47 28.04 Favored 'General case' 0 C--N 1.36 1.023 0 C-N-CA 126.005 1.722 . . . . 0.0 110.431 -171.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -81.63 -10.35 59.44 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 126.835 2.054 . . . . 0.0 111.509 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.19 -27.81 21.59 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 126.026 1.731 . . . . 0.0 112.288 -173.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -90.96 -35.15 14.86 Favored 'General case' 0 CA--C 1.498 -1.046 0 C-N-CA 127.255 2.222 . . . . 0.0 111.003 175.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 -87.05 -17.62 32.49 Favored 'General case' 0 CA--C 1.485 -1.52 0 C-N-CA 125.594 1.558 . . . . 0.0 109.624 -166.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.93 -37.26 76.28 Favored 'General case' 0 C--N 1.368 1.407 0 C-N-CA 127.014 2.126 . . . . 0.0 115.165 175.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.0 t -90.86 -6.18 54.56 Favored 'General case' 0 C--N 1.368 1.394 0 O-C-N 121.248 -0.908 . . . . 0.0 113.273 168.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -92.99 0.2 57.35 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 126.091 1.756 . . . . 0.0 113.143 172.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 . . . . . 0 C--N 1.355 0.845 0 O-C-N 119.798 -1.814 . . . . 0.0 112.471 -163.298 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.4 m . . . . . 0 CA--C 1.503 -0.863 0 CA-C-O 120.951 0.405 . . . . 0.0 111.28 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -82.11 -28.93 31.98 Favored 'General case' 0 C--N 1.361 1.104 0 CA-C-O 125.278 2.466 . . . . 0.0 110.039 175.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -92.61 -16.74 25.27 Favored 'General case' 0 N--CA 1.444 -0.757 1 C-N-CA 132.052 4.141 . . . . 0.0 106.918 -167.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.89 -31.55 19.42 Favored 'General case' 0 C--N 1.363 1.18 0 C-N-CA 127.355 2.262 . . . . 0.0 110.398 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.24 -42.01 16.32 Favored 'General case' 0 C--N 1.36 1.06 0 C-N-CA 127.543 2.337 . . . . 0.0 109.243 -179.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -88.33 -1.29 57.94 Favored 'General case' 0 C--N 1.363 1.169 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 -170.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.6 -11.42 40.03 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 126.541 1.936 . . . . 0.0 113.427 173.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.54 -29.35 17.93 Favored 'General case' 0 C--N 1.36 1.031 0 O-C-N 120.105 -1.622 . . . . 0.0 111.651 176.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.8 mttm -90.91 -10.53 42.2 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 128.731 2.812 . . . . 0.0 113.141 -176.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.6 ' HA ' ' HB2' ' A' ' 22' ' ' ASN 0.273 52.0 p30 -32.93 -26.26 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.831 1 C-N-CA 133.381 4.672 . . . . 0.0 121.669 -178.114 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.16 -33.48 24.23 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 126.225 1.81 . . . . 0.0 110.832 175.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -89.6 -14.12 35.69 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 125.917 1.687 . . . . 0.0 109.575 175.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.6 ' HB2' ' HA ' ' A' ' 19' ' ' ASP . 16.4 t30 -64.21 -18.38 64.46 Favored 'General case' 0 C--N 1.376 1.737 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 -176.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.47 -36.48 79.03 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 116.945 2.202 . . . . 0.0 116.945 173.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . 0.282 0.4 OUTLIER -90.92 -29.38 17.49 Favored 'General case' 0 C--N 1.368 1.384 0 O-C-N 120.996 -1.065 . . . . 0.0 113.333 174.298 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -50.9 -25.31 4.42 Favored 'General case' 0 C--N 1.368 1.405 0 C-N-CA 129.291 3.037 . . . . 0.0 118.717 173.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 . . . . . 0 C--N 1.352 0.708 0 C-N-CA 129.413 3.085 . . . . 0.0 114.059 -168.746 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 . . . . . 0 N--CA 1.482 1.147 0 N-CA-C 103.762 -2.681 . . . . 0.0 103.762 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -131.95 51.38 2.15 Favored 'General case' 0 C--N 1.364 1.236 0 CA-C-N 119.752 1.16 . . . . 0.0 108.342 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.49 ' HD1' ' H ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -70.48 -94.29 0.01 OUTLIER 'General case' 0 C--N 1.356 0.888 0 C-N-CA 131.0 3.72 . . . . 0.0 114.268 -169.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -132.12 103.43 6.25 Favored 'General case' 0 N--CA 1.437 -1.117 0 C-N-CA 128.045 2.538 . . . . 0.0 104.682 -175.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -157.7 -179.94 8.63 Favored 'General case' 0 N--CA 1.43 -1.436 1 N-CA-C 96.652 -5.314 . . . . 0.0 96.652 175.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.12 106.73 18.68 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 125.432 1.493 . . . . 0.0 108.655 171.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -88.99 -14.23 37.01 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 126.102 1.761 . . . . 0.0 110.382 -174.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -82.9 -23.24 33.66 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 126.588 1.955 . . . . 0.0 112.354 173.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.91 87.98 3.25 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 125.394 1.478 . . . . 0.0 109.2 172.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.9 m -173.21 -173.06 0.87 Allowed 'General case' 0 CA--C 1.492 -1.282 1 N-CA-C 99.058 -4.423 . . . . 0.0 99.058 -175.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.18 -0.5 9.9 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 127.19 2.196 . . . . 0.0 114.653 -176.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -83.05 -22.33 33.55 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 128.61 2.764 . . . . 0.0 111.087 171.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.65 -21.99 16.15 Favored 'General case' 0 C--N 1.367 1.351 0 O-C-N 121.339 -0.851 . . . . 0.0 109.989 170.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -80.56 -37.87 30.6 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 126.478 1.911 . . . . 0.0 111.932 -175.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.32 -34.39 25.69 Favored 'General case' 0 C--N 1.369 1.455 0 C-N-CA 123.552 0.741 . . . . 0.0 111.898 -177.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.12 -11.61 59.98 Favored 'General case' 0 C--N 1.361 1.076 0 C-N-CA 127.023 2.129 . . . . 0.0 112.011 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.63 -18.17 25.6 Favored 'General case' 0 C--N 1.357 0.922 0 C-N-CA 127.021 2.128 . . . . 0.0 112.544 168.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -90.29 -43.94 10.03 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 124.054 0.942 . . . . 0.0 109.165 -175.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -89.94 16.5 8.13 Favored 'General case' 0 C--N 1.361 1.087 0 O-C-N 120.645 -1.285 . . . . 0.0 111.047 176.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.82 -36.45 14.23 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 128.497 2.719 . . . . 0.0 113.171 163.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -82.34 -30.09 30.62 Favored 'General case' 0 C--N 1.385 2.121 0 C-N-CA 125.641 1.576 . . . . 0.0 110.32 -177.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -67.93 -23.04 65.03 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 128.274 2.63 . . . . 0.0 112.458 -161.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.35 -30.96 38.02 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 125.003 1.321 . . . . 0.0 112.336 175.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.3 m -90.3 -13.13 35.86 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 126.059 1.744 . . . . 0.0 112.162 177.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.3 mmtm -72.31 -42.37 65.52 Favored 'General case' 0 C--N 1.367 1.35 0 C-N-CA 125.729 1.611 . . . . 0.0 112.004 165.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -70.95 -59.28 2.87 Favored 'General case' 0 C--N 1.367 1.356 0 C-N-CA 125.05 1.34 . . . . 0.0 112.547 168.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.68 44.82 1.23 Allowed 'General case' 0 C--N 1.364 1.199 0 O-C-N 120.233 -1.542 . . . . 0.0 112.517 -177.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -90.15 -39.61 12.74 Favored 'General case' 0 C--N 1.368 1.388 0 C-N-CA 130.899 3.68 . . . . 0.0 108.324 165.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -67.49 -9.26 40.6 Favored 'General case' 0 C--N 1.375 1.702 0 C-N-CA 128.697 2.799 . . . . 0.0 115.602 -150.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.14 -23.3 21.38 Favored 'General case' 0 C--N 1.359 1.01 0 C-N-CA 124.795 1.238 . . . . 0.0 111.93 172.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.59 -67.49 0.85 Allowed 'General case' 0 C--N 1.363 1.18 0 C-N-CA 125.97 1.708 . . . . 0.0 110.364 171.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.294 9.5 tptp 82.66 67.37 0.02 OUTLIER 'General case' 0 C--N 1.361 1.075 0 C-N-CA 127.847 2.459 . . . . 0.0 113.144 178.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -85.64 36.86 0.67 Allowed 'General case' 0 C--N 1.359 0.979 0 O-C-N 119.118 -2.239 . . . . 0.0 114.661 -168.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.75 -37.96 12.67 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 129.477 3.111 . . . . 0.0 109.246 151.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.1 m -117.28 11.59 7.31 Favored 'Isoleucine or valine' 0 C--N 1.367 1.362 0 C-N-CA 124.747 1.219 . . . . 0.0 109.35 -164.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.463 ' O ' HD22 ' A' ' 37' ' ' LEU . 40.4 t30 -143.22 147.74 35.33 Favored 'General case' 0 N--CA 1.441 -0.899 1 N-CA-C 98.401 -4.666 . . . . 0.0 98.401 170.534 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.463 HD22 ' O ' ' A' ' 36' ' ' ASN . 0.8 OUTLIER -159.25 42.69 0.23 Allowed 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 101.666 -3.457 . . . . 0.0 101.666 178.475 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 46.4 mttm . . . . . 0 C--O 1.26 1.609 0 N-CA-C 105.803 -1.925 . . . . 0.0 105.803 -179.513 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 N--CA 1.5 2.055 1 N-CA-C 122.444 4.239 . . . . 0.0 122.444 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.31 120.29 7.68 Favored 'General case' 0 CA--C 1.5 -0.945 0 CA-C-N 123.005 2.639 . . . . 0.0 104.994 175.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -152.75 3.42 0.33 Allowed 'General case' 0 C--N 1.362 1.116 0 C-N-CA 124.138 0.975 . . . . 0.0 110.883 -172.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? 98.36 146.41 0.02 OUTLIER 'General case' 0 C--N 1.366 1.318 0 C-N-CA 130.193 3.397 . . . . 0.0 108.247 -163.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 75.68 1.57 3.59 Favored 'General case' 0 C--N 1.372 1.553 0 C-N-CA 127.953 2.501 . . . . 0.0 114.923 173.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.09 62.05 6.85 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 129.16 2.984 . . . . 0.0 111.685 -168.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -100.32 152.77 19.93 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 131.532 3.933 . . . . 0.0 108.218 172.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -123.85 34.13 5.14 Favored 'General case' 0 C--N 1.36 1.034 0 C-N-CA 125.234 1.413 . . . . 0.0 111.037 -173.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.22 -6.45 24.2 Favored 'General case' 0 C--N 1.344 0.332 0 C-N-CA 125.321 1.448 . . . . 0.0 113.156 -178.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.316 4.7 m 64.86 31.16 11.76 Favored 'General case' 0 C--N 1.368 1.37 0 C-N-CA 130.814 3.646 . . . . 0.0 116.143 177.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -100.9 -24.56 14.33 Favored 'General case' 0 CA--C 1.505 -0.773 0 C-N-CA 127.936 2.494 . . . . 0.0 109.827 171.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -101.29 -47.05 4.84 Favored 'General case' 0 CA--C 1.495 -1.167 0 C-N-CA 128.11 2.564 . . . . 0.0 109.076 -175.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.67 -17.26 27.13 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 127.397 2.279 . . . . 0.0 111.391 -160.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -90.88 -31.27 16.49 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 129.294 3.037 . . . . 0.0 108.434 173.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -87.35 -30.2 20.97 Favored 'General case' 0 C--N 1.366 1.301 0 C-N-CA 127.367 2.267 . . . . 0.0 110.586 -174.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.43 -15.16 63.52 Favored 'General case' 0 C--N 1.362 1.112 0 C-N-CA 126.36 1.864 . . . . 0.0 113.845 175.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.68 -15.66 29.95 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 128.234 2.614 . . . . 0.0 114.003 171.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.5 mmtm -90.5 -15.06 31.48 Favored 'General case' 0 C--N 1.369 1.416 0 C-N-CA 125.508 1.523 . . . . 0.0 111.758 -177.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.555 ' HA ' ' HB2' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -63.63 0.43 0.78 Allowed 'General case' 0 C--N 1.352 0.704 0 C-N-CA 129.72 3.208 . . . . 0.0 118.231 -163.645 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.4 -39.26 12.09 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 127.87 2.468 . . . . 0.0 112.261 167.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -84.82 -17.96 36.44 Favored 'General case' 0 C--N 1.379 1.863 0 C-N-CA 129.593 3.157 . . . . 0.0 108.535 -176.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.555 ' HB2' ' HA ' ' A' ' 19' ' ' ASP . 0.6 OUTLIER -74.65 -16.31 60.78 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 129.126 2.97 . . . . 0.0 115.078 -171.093 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.06 -50.98 51.8 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 170.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.7 t -91.79 8.44 37.11 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 124.9 1.28 . . . . 0.0 113.216 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -82.11 -23.87 35.46 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 127.293 2.237 . . . . 0.0 110.779 -177.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.1 tp10 -90.03 -33.54 16.3 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-O 122.664 1.221 . . . . 0.0 112.161 -178.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.72 -31.04 59.48 Favored 'General case' 0 C--N 1.357 0.904 0 C-N-CA 126.104 1.761 . . . . 0.0 112.729 -176.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 62.8 tt0 -58.4 -62.31 1.94 Allowed 'General case' 0 C--N 1.361 1.087 0 C-N-CA 127.986 2.515 . . . . 0.0 116.641 -175.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -65.81 -29.09 69.52 Favored 'General case' 0 C--N 1.381 1.975 0 C-N-CA 127.342 2.257 . . . . 0.0 111.621 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.18 -45.79 13.48 Favored 'General case' 0 N--CA 1.441 -0.895 0 C-N-CA 128.647 2.779 . . . . 0.0 112.33 -172.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.2 31.41 1.12 Allowed 'General case' 0 C--N 1.361 1.073 0 C-N-CA 126.603 1.961 . . . . 0.0 111.533 171.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -100.13 -84.75 0.42 Allowed 'General case' 0 C--N 1.359 1.003 0 C-N-CA 127.168 2.187 . . . . 0.0 105.705 166.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -67.28 -29.81 69.52 Favored 'General case' 0 C--N 1.366 1.295 0 C-N-CA 127.306 2.242 . . . . 0.0 114.458 -174.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.75 3.74 54.42 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 116.289 1.959 . . . . 0.0 116.289 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 48.7 t -134.21 -63.91 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.22 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 -175.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . 0.258 6.9 p30 -101.06 -35.73 9.24 Favored 'General case' 0 C--N 1.364 1.222 0 O-C-N 122.026 -0.422 . . . . 0.0 110.623 -170.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . 0.3 0.3 OUTLIER 106.62 -1.42 0.01 OUTLIER 'General case' 0 C--N 1.353 0.753 0 C-N-CA 129.734 3.214 . . . . 0.0 111.875 170.102 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? . . . . . 0 C--O 1.268 2.027 0 N-CA-C 101.136 -3.653 . . . . 0.0 101.136 178.06 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 . . . . . 0 CA--C 1.496 -1.108 0 N-CA-C 103.12 -2.919 . . . . 0.0 103.12 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.65 66.75 1.24 Allowed 'General case' 0 C--N 1.355 0.847 0 C-N-CA 125.502 1.521 . . . . 0.0 109.402 176.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.6 p90 -168.17 175.1 6.74 Favored 'General case' 0 C--N 1.355 0.81 1 N-CA-C 99.854 -4.128 . . . . 0.0 99.854 170.129 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.424 ' HB3' ' H ' ' A' ' 5' ' ' LYS . 42.6 mmtt -142.8 -127.3 0.09 Allowed 'General case' 0 C--N 1.354 0.78 0 N-CA-C 103.229 -2.878 . . . . 0.0 103.229 -175.323 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.424 ' H ' ' HB3' ' A' ' 4' ' ' LYS . 44.2 mttm -120.33 28.52 7.98 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 104.956 -2.239 . . . . 0.0 104.956 164.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.1 135.91 33.45 Favored 'General case' 0 C--N 1.362 1.119 0 C-N-CA 128.421 2.688 . . . . 0.0 104.758 153.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.72 -24.45 15.04 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 126.764 2.026 . . . . 0.0 111.405 -164.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 170.26 -148.72 0.0 OUTLIER 'General case' 0 N--CA 1.439 -0.988 1 N-CA-C 97.995 -4.817 . . . . 0.0 97.995 -167.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -95.74 -103.59 0.16 Allowed 'General case' 0 C--N 1.361 1.093 0 C-N-CA 126.541 1.937 . . . . 0.0 108.447 174.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.2 m -149.93 46.94 0.93 Allowed 'General case' 0 CA--C 1.5 -0.975 0 O-C-N 119.109 -2.245 . . . . 0.0 108.797 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -92.39 -18.2 23.61 Favored 'General case' 0 C--N 1.361 1.087 0 C-N-CA 127.19 2.196 . . . . 0.0 109.739 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -100.42 -7.72 24.02 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 129.549 3.14 . . . . 0.0 107.981 -169.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -99.39 -14.11 19.29 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 127.106 2.163 . . . . 0.0 110.198 -176.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -84.33 -35.02 23.55 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 126.192 1.797 . . . . 0.0 109.779 178.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.68 -26.57 25.88 Favored 'General case' 0 C--N 1.356 0.871 0 O-C-N 120.359 -1.463 . . . . 0.0 109.679 -175.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.11 -6.69 52.35 Favored 'General case' 0 C--N 1.362 1.113 0 C-N-CA 126.707 2.003 . . . . 0.0 113.494 169.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.49 -27.65 19.08 Favored 'General case' 0 C--N 1.366 1.29 0 C-N-CA 124.401 1.08 . . . . 0.0 109.971 167.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -81.67 -35.99 29.27 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 126.021 1.728 . . . . 0.0 112.291 -172.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -90.07 2.97 54.63 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 124.928 1.291 . . . . 0.0 111.251 176.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.75 -53.51 4.38 Favored 'General case' 0 C--N 1.361 1.108 0 C-N-CA 126.482 1.913 . . . . 0.0 109.659 161.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -61.09 -39.35 89.59 Favored 'General case' 0 C--N 1.386 2.161 0 C-N-CA 128.159 2.584 . . . . 0.0 113.548 -179.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -62.89 -13.02 29.14 Favored 'General case' 0 C--N 1.37 1.493 0 C-N-CA 127.046 2.138 . . . . 0.0 116.018 -178.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.15 -28.89 57.57 Favored 'General case' 0 C--N 1.356 0.891 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 173.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.1 m -90.83 -30.98 16.65 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 125.83 1.652 . . . . 0.0 113.494 176.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -60.76 -8.53 3.07 Favored 'General case' 0 C--N 1.362 1.128 0 C-N-CA 129.993 3.317 . . . . 0.0 116.527 -173.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -78.93 -69.87 0.54 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 127.305 2.242 . . . . 0.0 112.208 171.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.17 -27.28 19.68 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 126.847 2.059 . . . . 0.0 112.708 -167.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -89.84 -13.38 36.64 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 124.802 1.241 . . . . 0.0 109.806 -177.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -89.44 -27.06 20.64 Favored 'General case' 0 C--N 1.361 1.084 0 CA-C-O 122.092 0.949 . . . . 0.0 110.472 172.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.52 -42.46 22.42 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 125.771 1.628 . . . . 0.0 110.935 174.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.72 40.72 0.95 Allowed 'General case' 0 C--N 1.367 1.366 0 C-N-CA 126.17 1.788 . . . . 0.0 112.031 172.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -135.43 -87.98 0.35 Allowed 'General case' 0 CA--C 1.486 -1.5 0 N-CA-C 104.841 -2.281 . . . . 0.0 104.841 169.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -80.38 -26.17 38.73 Favored 'General case' 0 C--N 1.365 1.257 0 O-C-N 121.922 -0.486 . . . . 0.0 111.636 -159.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.36 14.48 14.47 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 124.771 1.228 . . . . 0.0 112.831 175.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.5 t -122.92 -68.03 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.361 1.069 0 C-N-CA 125.895 1.678 . . . . 0.0 107.956 177.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -104.17 -33.46 8.72 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 121.066 -1.021 . . . . 0.0 111.672 -156.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 78.13 25.11 0.64 Allowed 'General case' 0 C--N 1.365 1.278 0 C-N-CA 128.225 2.61 . . . . 0.0 110.852 169.33 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.5 mttp . . . . . 0 C--O 1.262 1.75 0 C-N-CA 127.176 2.19 . . . . 0.0 105.097 -171.758 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.428 ' OE1' ' HD3' ' A' ' 5' ' ' LYS . 34.7 mt-10 . . . . . 0 N--CA 1.492 1.674 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.2 -14.15 25.88 Favored 'General case' 0 C--N 1.363 1.178 0 C-N-CA 124.953 1.301 . . . . 0.0 111.388 173.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -150.25 159.49 44.4 Favored 'General case' 0 N--CA 1.442 -0.83 1 N-CA-C 98.393 -4.669 . . . . 0.0 98.393 159.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.254 8.2 mmpt? 37.23 -135.3 0.07 Allowed 'General case' 0 C--N 1.367 1.353 0 C-N-CA 131.531 3.932 . . . . 0.0 117.336 172.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.428 ' HD3' ' OE1' ' A' ' 1' ' ' GLU 0.341 36.8 mtpt 61.18 114.58 0.02 OUTLIER 'General case' 0 C--N 1.36 1.044 0 C-N-CA 128.956 2.902 . . . . 0.0 117.833 178.52 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.43 131.81 35.98 Favored 'General case' 0 C--N 1.361 1.096 0 C-N-CA 125.227 1.411 . . . . 0.0 107.939 174.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -101.14 -170.41 1.84 Allowed 'General case' 0 C--N 1.361 1.097 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 177.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -117.61 53.44 0.93 Allowed 'General case' 0 CA--C 1.5 -0.944 0 CA-C-O 122.931 1.348 . . . . 0.0 107.494 173.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.55 -123.36 0.16 Allowed 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 105.677 -1.972 . . . . 0.0 105.677 165.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.5 m -156.02 62.38 0.57 Allowed 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 102.117 -3.29 . . . . 0.0 102.117 171.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.7 -16.35 28.67 Favored 'General case' 0 C--N 1.363 1.178 0 C-N-CA 125.658 1.583 . . . . 0.0 109.553 173.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -71.75 -42.48 67.18 Favored 'General case' 0 C--N 1.359 1.004 0 C-N-CA 127.793 2.437 . . . . 0.0 111.547 -171.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.42 -6.15 59.37 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 126.109 1.763 . . . . 0.0 111.984 -178.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -90.46 -42.22 10.99 Favored 'General case' 0 C--N 1.359 1.006 0 C-N-CA 128.318 2.647 . . . . 0.0 109.427 172.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.6 -43.53 18.52 Favored 'General case' 0 C--N 1.362 1.114 0 C-N-CA 126.835 2.054 . . . . 0.0 111.76 -176.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.85 -15.61 61.61 Favored 'General case' 0 C--N 1.37 1.471 0 C-N-CA 126.507 1.923 . . . . 0.0 112.866 -177.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.09 -24.49 30.32 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 128.078 2.551 . . . . 0.0 112.223 173.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -91.19 -24.8 19.81 Favored 'General case' 0 C--N 1.373 1.623 0 C-N-CA 124.937 1.295 . . . . 0.0 112.601 -178.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -88.13 16.7 5.8 Favored 'General case' 0 C--N 1.363 1.175 0 O-C-N 120.769 -1.207 . . . . 0.0 111.205 176.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.71 -36.63 14.21 Favored 'General case' 0 C--N 1.361 1.097 0 C-N-CA 126.196 1.798 . . . . 0.0 110.658 169.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -90.97 -47.0 7.83 Favored 'General case' 0 C--N 1.37 1.465 0 C-N-CA 127.713 2.405 . . . . 0.0 107.808 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -68.13 -10.01 50.84 Favored 'General case' 0 C--N 1.373 1.603 0 C-N-CA 128.335 2.654 . . . . 0.0 114.418 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.7 -41.9 64.78 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 124.818 1.247 . . . . 0.0 112.537 174.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.5 m -91.26 -16.63 27.28 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 124.345 1.058 . . . . 0.0 113.424 -177.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm -64.09 -24.28 67.64 Favored 'General case' 0 C--N 1.365 1.26 0 C-N-CA 126.276 1.83 . . . . 0.0 115.728 -178.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -61.83 -33.99 75.14 Favored 'General case' 0 C--N 1.372 1.562 0 C-N-CA 128.474 2.71 . . . . 0.0 113.44 166.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.27 -17.68 25.58 Favored 'General case' 0 C--N 1.364 1.214 0 C-N-CA 125.692 1.597 . . . . 0.0 111.022 -177.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -89.89 -42.84 10.99 Favored 'General case' 0 C--N 1.358 0.938 0 C-N-CA 125.133 1.373 . . . . 0.0 108.671 -164.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.16 -19.54 24.13 Favored 'General case' 0 C--N 1.37 1.485 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 173.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.91 -23.9 44.47 Favored 'General case' 0 C--N 1.363 1.183 0 O-C-N 119.607 -1.933 . . . . 0.0 111.315 175.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.483 ' HA ' ' O ' ' A' ' 36' ' ' ASN . . . -90.75 51.4 1.97 Allowed 'General case' 0 C--N 1.369 1.441 0 C-N-CA 127.158 2.183 . . . . 0.0 110.61 162.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.02 -45.59 0.08 Allowed 'General case' 0 N--CA 1.434 -1.231 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.93 -50.92 2.51 Favored 'General case' 0 C--N 1.385 2.124 0 C-N-CA 129.398 3.079 . . . . 0.0 116.717 -177.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.02 -80.03 0.35 Allowed 'General case' 0 C--N 1.361 1.108 0 C-N-CA 126.139 1.776 . . . . 0.0 112.692 166.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.6 t -158.62 -51.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.362 1.144 0 C-N-CA 129.028 2.931 . . . . 0.0 103.763 -177.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.483 ' O ' ' HA ' ' A' ' 31' ' ' ALA . 21.6 t-20 -136.76 -87.19 0.31 Allowed 'General case' 0 C--N 1.36 1.022 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 -171.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 67.4 41.57 2.4 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 125.151 1.381 . . . . 0.0 113.699 178.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.26 1.643 0 O-C-N 119.923 -1.736 . . . . 0.0 108.638 -170.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.501 -0.922 0 N-CA-C 101.794 -3.41 . . . . 0.0 101.794 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -166.09 62.66 0.1 Allowed 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 105.07 -2.196 . . . . 0.0 105.07 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -134.77 -147.19 0.27 Allowed 'General case' 0 C--N 1.351 0.641 0 N-CA-C 105.021 -2.215 . . . . 0.0 105.021 175.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -156.29 119.21 4.16 Favored 'General case' 0 N--CA 1.437 -1.097 1 N-CA-C 99.038 -4.431 . . . . 0.0 99.038 -173.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.5 mmtt -129.81 172.56 11.53 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 105.563 -2.014 . . . . 0.0 105.563 -170.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.95 -130.92 0.11 Allowed 'General case' 0 C--N 1.367 1.345 0 C-N-CA 127.914 2.486 . . . . 0.0 112.269 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.7 ptpp? -100.77 88.94 3.71 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 126.348 1.859 . . . . 0.0 107.311 172.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.8 mp0 -118.75 -85.28 0.65 Allowed 'General case' 0 C--N 1.355 0.834 0 N-CA-C 102.783 -3.043 . . . . 0.0 102.783 171.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.91 84.84 7.57 Favored 'General case' 0 C--N 1.364 1.211 0 O-C-N 120.746 -1.221 . . . . 0.0 113.073 -162.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.9 m 176.06 -147.16 0.01 OUTLIER 'General case' 0 N--CA 1.435 -1.207 1 N-CA-C 97.64 -4.948 . . . . 0.0 97.64 -165.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -71.45 -26.39 62.7 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 127.036 2.134 . . . . 0.0 114.072 -167.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -76.08 -17.94 59.42 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 127.422 2.289 . . . . 0.0 113.38 173.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -95.19 -29.85 14.32 Favored 'General case' 0 C--N 1.362 1.123 0 O-C-N 120.727 -1.233 . . . . 0.0 109.067 170.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.5 -40.92 22.49 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 126.002 1.721 . . . . 0.0 111.463 -171.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.76 -28.45 36.44 Favored 'General case' 0 C--N 1.367 1.37 0 C-N-CA 125.339 1.456 . . . . 0.0 111.955 -179.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.27 -2.95 40.44 Favored 'General case' 0 C--N 1.367 1.341 0 C-N-CA 124.908 1.283 . . . . 0.0 113.861 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.36 -28.68 18.54 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 125.895 1.678 . . . . 0.0 111.819 167.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -90.36 -36.15 14.8 Favored 'General case' 0 C--N 1.362 1.139 0 C-N-CA 126.973 2.109 . . . . 0.0 111.164 -174.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.96 -8.83 59.55 Favored 'General case' 0 C--N 1.368 1.407 0 C-N-CA 125.604 1.562 . . . . 0.0 111.808 178.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.94 -31.87 25.37 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 127.777 2.431 . . . . 0.0 111.593 174.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.56 -25.66 20.1 Favored 'General case' 0 C--N 1.374 1.662 0 C-N-CA 124.402 1.081 . . . . 0.0 111.623 176.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -77.89 1.02 21.84 Favored 'General case' 0 C--N 1.368 1.398 0 C-N-CA 126.485 1.914 . . . . 0.0 113.169 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.27 -33.45 24.02 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 126.389 1.876 . . . . 0.0 112.172 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.2 t -90.98 -35.55 14.61 Favored 'General case' 0 C--N 1.368 1.394 0 C-N-CA 124.37 1.068 . . . . 0.0 110.313 173.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -52.18 -29.39 22.13 Favored 'General case' 0 C--N 1.365 1.274 0 N-CA-C 116.467 2.025 . . . . 0.0 116.467 -177.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -71.43 -18.35 62.33 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 129.984 3.313 . . . . 0.0 114.419 174.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.34 -51.13 5.58 Favored 'General case' 0 C--N 1.367 1.345 0 C-N-CA 126.576 1.95 . . . . 0.0 108.848 169.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -60.11 -40.48 89.81 Favored 'General case' 0 C--N 1.374 1.632 0 C-N-CA 126.647 1.979 . . . . 0.0 115.005 179.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . 0.272 5.4 pt-20 -90.09 -2.69 58.14 Favored 'General case' 0 C--N 1.369 1.434 0 O-C-N 120.463 -1.398 . . . . 0.0 113.526 176.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.58 -50.23 6.05 Favored 'General case' 0 C--N 1.369 1.433 0 CA-C-O 123.137 1.446 . . . . 0.0 109.061 168.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.69 51.0 2.08 Favored 'General case' 0 C--N 1.359 1.006 0 C-N-CA 126.459 1.904 . . . . 0.0 111.655 176.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -157.19 -59.61 0.09 Allowed 'General case' 0 N--CA 1.429 -1.521 0 N-CA-C 102.836 -3.024 . . . . 0.0 102.836 164.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . 0.27 50.3 mt-10 -80.73 -23.15 39.65 Favored 'General case' 0 C--N 1.366 1.287 0 N-CA-C 115.046 1.499 . . . . 0.0 115.046 -171.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.47 -35.05 14.56 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-N 122.055 2.207 . . . . 0.0 113.058 171.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.1 t -83.46 -21.54 8.75 Favored 'Isoleucine or valine' 0 C--N 1.359 1.001 0 C-N-CA 125.334 1.454 . . . . 0.0 111.66 -165.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -151.22 -34.67 0.14 Allowed 'General case' 0 CA--C 1.495 -1.154 0 CA-C-O 118.204 -0.903 . . . . 0.0 109.824 177.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 tp 83.78 19.38 0.19 Allowed 'General case' 0 C--N 1.371 1.52 0 C-N-CA 124.759 1.224 . . . . 0.0 110.448 172.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.5 pttm . . . . . 0 C--O 1.268 2.055 0 N-CA-C 104.816 -2.29 . . . . 0.0 104.816 -176.91 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 N--CA 1.504 2.247 0 N-CA-C 117.243 2.312 . . . . 0.0 117.243 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.82 -139.13 0.38 Allowed 'General case' 0 C--N 1.36 1.054 0 O-C-N 118.242 -2.786 . . . . 0.0 112.548 -169.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -174.72 169.16 3.6 Favored 'General case' 0 N--CA 1.439 -0.992 1 N-CA-C 97.206 -5.109 . . . . 0.0 97.206 167.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.464 ' HD3' ' HA ' ' A' ' 4' ' ' LYS . 66.0 mmtt -139.84 -79.82 0.3 Allowed 'General case' 0 CA--C 1.497 -1.084 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 163.161 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.0 mmtm -148.84 -84.28 0.1 Allowed 'General case' 0 C--N 1.355 0.826 0 N-CA-C 104.815 -2.291 . . . . 0.0 104.815 -173.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.7 -50.96 5.62 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 124.862 1.265 . . . . 0.0 112.668 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -101.33 -176.16 3.07 Favored 'General case' 0 C--N 1.362 1.119 0 C-N-CA 125.76 1.624 . . . . 0.0 108.702 171.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -103.12 -142.3 0.36 Allowed 'General case' 0 C--N 1.363 1.188 0 C-N-CA 125.714 1.606 . . . . 0.0 108.565 -176.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.67 -174.35 2.62 Favored 'General case' 0 C--N 1.365 1.24 0 C-N-CA 126.558 1.943 . . . . 0.0 107.884 -175.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.1 m -127.84 24.6 6.06 Favored 'General case' 0 CA--C 1.504 -0.799 0 C-N-CA 123.911 0.884 . . . . 0.0 109.799 -177.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -100.42 -38.64 8.33 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 124.841 1.256 . . . . 0.0 110.332 -168.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.7 -25.39 60.2 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 131.112 3.765 . . . . 0.0 110.69 -173.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.52 -16.84 31.62 Favored 'General case' 0 C--N 1.364 1.229 0 C-N-CA 128.135 2.574 . . . . 0.0 111.673 176.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -90.9 -49.87 6.19 Favored 'General case' 0 C--N 1.373 1.612 0 C-N-CA 125.044 1.338 . . . . 0.0 108.916 172.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -64.95 -33.2 75.47 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 125.356 1.462 . . . . 0.0 112.799 -169.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.64 -13.97 26.92 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 126.842 2.057 . . . . 0.0 115.837 169.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.92 -27.04 19.0 Favored 'General case' 0 C--N 1.365 1.274 0 C-N-CA 125.548 1.539 . . . . 0.0 113.117 171.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -90.07 -24.02 21.26 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 126.915 2.086 . . . . 0.0 111.004 178.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -79.24 5.9 11.14 Favored 'General case' 0 C--N 1.36 1.052 0 C-N-CA 127.262 2.225 . . . . 0.0 112.479 177.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.14 -34.02 16.02 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 127.308 2.243 . . . . 0.0 110.592 163.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -90.09 -32.14 16.83 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 125.333 1.453 . . . . 0.0 109.033 -174.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -77.23 -0.44 25.24 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 129.066 2.946 . . . . 0.0 113.487 167.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -90.44 -51.1 5.58 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 124.659 1.183 . . . . 0.0 109.992 169.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.4 p -90.71 12.64 18.48 Favored 'General case' 0 C--N 1.356 0.891 0 N-CA-C 115.649 1.722 . . . . 0.0 115.649 -178.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.54 -25.96 28.37 Favored 'General case' 0 C--N 1.363 1.162 0 O-C-N 120.373 -1.454 . . . . 0.0 110.512 178.097 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -90.99 25.71 2.35 Favored 'General case' 0 C--N 1.359 1.015 0 C-N-CA 127.204 2.202 . . . . 0.0 111.909 169.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.23 3.63 54.34 Favored 'General case' 0 C--N 1.363 1.166 0 C-N-CA 125.897 1.679 . . . . 0.0 111.227 164.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -70.12 -33.13 71.46 Favored 'General case' 0 C--N 1.374 1.668 0 C-N-CA 127.369 2.268 . . . . 0.0 112.223 -171.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -91.01 7.63 39.38 Favored 'General case' 0 C--N 1.362 1.14 0 N-CA-C 115.688 1.736 . . . . 0.0 115.688 165.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.15 -33.73 16.12 Favored 'General case' 0 C--N 1.366 1.321 0 O-C-N 120.221 -1.549 . . . . 0.0 108.618 168.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.41 36.69 0.07 Allowed 'General case' 0 C--N 1.363 1.185 0 C-N-CA 128.461 2.705 . . . . 0.0 114.264 172.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -125.24 -44.24 1.89 Allowed 'General case' 0 N--CA 1.438 -1.044 0 C-N-CA 129.218 3.007 . . . . 0.0 109.387 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -100.16 -16.98 17.61 Favored 'General case' 0 C--N 1.369 1.427 0 C-N-CA 124.174 0.99 . . . . 0.0 111.28 172.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.73 -38.98 12.69 Favored 'General case' 0 C--N 1.361 1.077 0 N-CA-C 114.444 1.275 . . . . 0.0 114.444 -177.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.0 t -108.64 -12.64 10.8 Favored 'Isoleucine or valine' 0 C--N 1.358 0.974 0 CA-C-O 122.757 1.265 . . . . 0.0 109.29 -165.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -160.47 -165.27 1.39 Allowed 'General case' 0 N--CA 1.434 -1.228 1 N-CA-C 98.161 -4.755 . . . . 0.0 98.161 178.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -171.68 56.06 0.03 OUTLIER 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 101.834 -3.395 . . . . 0.0 101.834 169.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.8 mttm . . . . . 0 C--O 1.263 1.766 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 178.853 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 CA--C 1.49 -1.344 1 N-CA-C 99.227 -4.36 . . . . 0.0 99.227 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 74.0 44.26 0.27 Allowed 'General case' 0 C--N 1.365 1.254 0 C-N-CA 125.401 1.481 . . . . 0.0 114.444 173.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -86.38 118.59 25.91 Favored 'General case' 0 C--N 1.368 1.403 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 -177.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -175.44 -171.5 0.49 Allowed 'General case' 0 N--CA 1.423 -1.789 1 N-CA-C 96.561 -5.348 . . . . 0.0 96.561 -159.01 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -134.94 84.92 2.14 Favored 'General case' 0 N--CA 1.428 -1.545 0 N-CA-C 102.687 -3.079 . . . . 0.0 102.687 168.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.02 -4.3 56.53 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 126.528 1.931 . . . . 0.0 111.815 177.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -100.66 160.05 14.67 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 128.891 2.876 . . . . 0.0 106.014 173.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . 0.31 7.8 tt0 94.61 46.0 0.0 OUTLIER 'General case' 0 C--N 1.372 1.579 0 C-N-CA 127.035 2.134 . . . . 0.0 110.127 -173.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.42 -45.2 5.39 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-N 112.15 -2.295 . . . . 0.0 113.927 -171.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.1 m 174.0 -177.83 0.09 Allowed 'General case' 0 CA--C 1.491 -1.3 1 N-CA-C 100.031 -4.062 . . . . 0.0 100.031 -172.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -51.03 -31.56 18.82 Favored 'General case' 0 C--N 1.368 1.383 0 C-N-CA 130.006 3.322 . . . . 0.0 114.857 175.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.23 -43.04 92.37 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 130.085 3.354 . . . . 0.0 115.196 171.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.99 -26.13 16.95 Favored 'General case' 0 CA--C 1.491 -1.315 0 C-N-CA 124.95 1.3 . . . . 0.0 108.31 -173.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.74 -24.72 35.93 Favored 'General case' 0 C--N 1.365 1.254 0 C-N-CA 124.638 1.175 . . . . 0.0 111.219 179.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.07 -38.19 13.74 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 125.257 1.423 . . . . 0.0 112.104 175.378 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.92 -25.77 53.32 Favored 'General case' 0 C--N 1.365 1.253 0 CA-C-O 122.171 0.986 . . . . 0.0 112.533 -174.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.07 -8.41 51.5 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 123.994 0.918 . . . . 0.0 111.519 176.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.4 tttm -82.62 -42.05 18.72 Favored 'General case' 0 C--N 1.362 1.149 0 C-N-CA 125.898 1.679 . . . . 0.0 109.188 -176.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -75.06 -31.91 61.37 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 127.705 2.402 . . . . 0.0 110.856 175.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.27 -28.63 18.68 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 125.566 1.547 . . . . 0.0 113.901 -173.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -90.13 -18.57 25.58 Favored 'General case' 0 C--N 1.37 1.499 0 CA-C-N 120.31 1.414 . . . . 0.0 112.106 172.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -79.6 -28.72 41.01 Favored 'General case' 0 C--N 1.366 1.287 0 CA-C-N 120.422 1.464 . . . . 0.0 112.131 -176.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.66 -27.34 63.96 Favored 'General case' 0 C--N 1.36 1.028 0 C-N-CA 124.841 1.256 . . . . 0.0 113.254 -176.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -90.93 -7.8 51.1 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 126.09 1.756 . . . . 0.0 112.977 173.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -91.01 -29.08 17.58 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 127.763 2.425 . . . . 0.0 110.992 173.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -76.2 -3.94 39.07 Favored 'General case' 0 C--N 1.372 1.555 0 C-N-CA 126.842 2.057 . . . . 0.0 112.061 172.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.72 -3.43 53.7 Favored 'General case' 0 C--N 1.359 1.022 0 C-N-CA 126.296 1.838 . . . . 0.0 113.593 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.23 -40.38 77.44 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 130.771 3.629 . . . . 0.0 114.01 -177.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -90.42 -22.97 21.17 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 126.813 2.045 . . . . 0.0 112.704 -174.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.26 -38.05 14.5 Favored 'General case' 0 C--N 1.36 1.054 0 C-N-CA 127.364 2.266 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.93 40.61 1.03 Allowed 'General case' 0 C--N 1.364 1.214 0 C-N-CA 126.41 1.884 . . . . 0.0 111.438 171.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.46 -90.44 0.55 Allowed 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 104.351 -2.462 . . . . 0.0 104.351 178.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -88.59 -7.65 56.06 Favored 'General case' 0 C--N 1.363 1.166 0 C-N-CA 126.19 1.796 . . . . 0.0 112.444 -161.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.13 -30.55 16.65 Favored 'General case' 0 C--N 1.355 0.84 0 C-N-CA 124.455 1.102 . . . . 0.0 112.828 170.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.1 t -108.02 -48.44 7.78 Favored 'Isoleucine or valine' 0 C--N 1.363 1.179 0 C-N-CA 124.082 0.953 . . . . 0.0 110.48 -162.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -111.64 -18.38 12.8 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 121.303 -0.873 . . . . 0.0 110.058 -176.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . 0.269 7.4 mp 86.91 5.22 0.35 Allowed 'General case' 0 C--N 1.36 1.044 0 C-N-CA 127.752 2.421 . . . . 0.0 112.836 165.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.264 1.867 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 -166.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 . . . . . 0 N--CA 1.486 1.332 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.91 -145.97 0.38 Allowed 'General case' 0 C--N 1.36 1.043 0 C-N-CA 124.828 1.251 . . . . 0.0 107.739 174.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -94.3 -156.3 0.49 Allowed 'General case' 0 C--N 1.36 1.037 0 C-N-CA 127.044 2.137 . . . . 0.0 105.766 171.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.83 70.35 0.86 Allowed 'General case' 0 CA--C 1.503 -0.832 0 N-CA-C 104.857 -2.275 . . . . 0.0 104.857 174.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.9 ptpp? -138.79 1.71 2.11 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 123.076 0.55 . . . . 0.0 110.279 166.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.93 177.88 6.17 Favored 'General case' 0 C--N 1.367 1.368 0 O-C-N 120.695 -1.253 . . . . 0.0 111.267 -176.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.69 -17.21 32.29 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 126.459 1.904 . . . . 0.0 110.629 177.247 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.63 113.72 24.73 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 104.129 -2.545 . . . . 0.0 104.129 175.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.82 -25.24 14.18 Favored 'General case' 0 C--N 1.357 0.931 0 C-N-CA 123.695 0.798 . . . . 0.0 110.945 172.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.7 m -175.73 -169.97 0.37 Allowed 'General case' 0 CA--C 1.493 -1.215 0 N-CA-C 101.063 -3.68 . . . . 0.0 101.063 176.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -56.53 -33.15 65.8 Favored 'General case' 0 C--N 1.373 1.625 0 C-N-CA 127.789 2.436 . . . . 0.0 114.556 -175.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -72.37 -10.01 59.23 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 129.86 3.264 . . . . 0.0 114.613 175.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.12 -27.37 12.6 Favored 'General case' 0 CA--C 1.502 -0.894 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 176.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -87.65 -30.69 20.24 Favored 'General case' 0 C--N 1.359 1.012 0 C-N-CA 126.212 1.805 . . . . 0.0 109.684 -173.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -83.28 -27.67 29.68 Favored 'General case' 0 C--N 1.365 1.25 0 C-N-CA 130.223 3.409 . . . . 0.0 110.791 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.93 -1.52 57.82 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 125.084 1.354 . . . . 0.0 112.911 174.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.81 -22.71 20.87 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 126.121 1.768 . . . . 0.0 111.502 164.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.8 mttp -87.17 -21.13 26.11 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 126.642 1.977 . . . . 0.0 111.088 -155.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -91.4 -8.73 47.1 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 127.22 2.208 . . . . 0.0 113.774 171.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.71 -28.09 18.55 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 125.369 1.468 . . . . 0.0 111.448 177.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.02 -35.64 25.64 Favored 'General case' 0 C--N 1.368 1.398 0 C-N-CA 125.078 1.351 . . . . 0.0 109.376 172.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 -78.53 13.19 1.68 Allowed 'General case' 0 C--N 1.364 1.227 0 C-N-CA 125.054 1.341 . . . . 0.0 114.39 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.6 -27.61 21.23 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 125.709 1.604 . . . . 0.0 112.035 168.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.2 p -90.41 -31.79 16.69 Favored 'General case' 0 C--N 1.369 1.436 0 CA-C-O 123.263 1.506 . . . . 0.0 110.16 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -82.88 24.76 0.72 Allowed 'General case' 0 C--N 1.355 0.811 0 C-N-CA 129.224 3.01 . . . . 0.0 112.273 175.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -89.67 -38.22 14.05 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 129.31 3.044 . . . . 0.0 106.961 163.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.03 -51.26 5.43 Favored 'General case' 0 C--N 1.365 1.245 0 C-N-CA 126.068 1.747 . . . . 0.0 111.193 172.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -71.74 10.85 0.59 Allowed 'General case' 0 C--N 1.372 1.547 0 C-N-CA 127.128 2.171 . . . . 0.0 115.443 -176.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -82.97 -20.57 34.93 Favored 'General case' 0 C--N 1.365 1.242 0 O-C-N 119.507 -1.995 . . . . 0.0 111.158 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.23 -16.16 55.39 Favored 'General case' 0 C--N 1.368 1.381 0 C-N-CA 124.266 1.027 . . . . 0.0 113.176 174.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.29 -69.04 0.76 Allowed 'General case' 0 C--N 1.374 1.674 0 C-N-CA 127.584 2.354 . . . . 0.0 111.08 167.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.9 tttt 78.22 50.22 0.04 OUTLIER 'General case' 0 C--N 1.37 1.462 0 C-N-CA 126.396 1.879 . . . . 0.0 115.038 164.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.98 20.33 5.89 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 128.814 2.845 . . . . 0.0 112.882 -158.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.1 -51.62 5.23 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 129.982 3.313 . . . . 0.0 110.51 163.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 29.8 m -123.23 26.66 3.27 Favored 'Isoleucine or valine' 0 C--N 1.361 1.093 0 CA-C-O 122.111 0.958 . . . . 0.0 109.539 -161.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 22.6 t30 -155.5 150.68 26.82 Favored 'General case' 0 N--CA 1.43 -1.434 1 N-CA-C 95.585 -5.709 . . . . 0.0 95.585 173.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 175.51 50.66 0.0 OUTLIER 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 102.289 -3.226 . . . . 0.0 102.289 -175.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.263 1.774 0 N-CA-C 100.937 -3.727 . . . . 0.0 100.937 169.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 . . . . . 0 N--CA 1.487 1.404 0 N-CA-C 104.782 -2.303 . . . . 0.0 104.782 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.48 74.24 9.37 Favored 'General case' 0 C--N 1.359 1.008 0 CA-C-N 121.121 1.782 . . . . 0.0 112.235 170.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -168.41 167.98 11.52 Favored 'General case' 0 C--N 1.356 0.877 1 N-CA-C 98.644 -4.576 . . . . 0.0 98.644 172.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -103.21 40.23 1.44 Allowed 'General case' 0 C--N 1.357 0.934 0 C-N-CA 125.753 1.621 . . . . 0.0 110.08 -165.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -104.64 -23.75 13.05 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 129.241 3.017 . . . . 0.0 105.918 -178.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.51 120.73 32.57 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 128.754 2.822 . . . . 0.0 106.028 160.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.4 ptmm? -101.5 -153.35 0.45 Allowed 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 127.749 2.42 . . . . 0.0 107.105 171.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -80.77 -24.59 38.52 Favored 'General case' 0 C--N 1.368 1.385 0 O-C-N 120.053 -1.655 . . . . 0.0 112.087 177.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.0 96.59 7.35 Favored 'General case' 0 C--N 1.36 1.063 0 N-CA-C 105.495 -2.039 . . . . 0.0 105.495 176.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.2 m 174.73 -150.45 0.01 OUTLIER 'General case' 0 CA--C 1.495 -1.15 1 N-CA-C 97.368 -5.049 . . . . 0.0 97.368 -160.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -71.08 -28.74 64.56 Favored 'General case' 0 C--N 1.36 1.028 0 C-N-CA 127.699 2.4 . . . . 0.0 112.418 -176.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -83.87 5.75 24.09 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 126.904 2.082 . . . . 0.0 113.497 175.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.61 -25.72 13.07 Favored 'General case' 0 C--N 1.365 1.245 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 158.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -86.85 -44.79 11.43 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 126.144 1.777 . . . . 0.0 109.436 -162.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.5 tp60 -65.04 -24.29 67.43 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 130.485 3.514 . . . . 0.0 112.839 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.09 -19.35 32.01 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 126.54 1.936 . . . . 0.0 111.916 174.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.76 -24.32 20.4 Favored 'General case' 0 C--N 1.371 1.519 0 O-C-N 121.147 -0.971 . . . . 0.0 110.394 170.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.7 mttp -77.87 -18.68 55.94 Favored 'General case' 0 C--N 1.368 1.401 0 C-N-CA 127.742 2.417 . . . . 0.0 111.699 -173.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -81.96 -26.62 33.8 Favored 'General case' 0 C--N 1.358 0.935 0 C-N-CA 126.287 1.835 . . . . 0.0 111.035 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.52 -29.76 23.96 Favored 'General case' 0 C--N 1.359 0.991 0 C-N-CA 125.574 1.55 . . . . 0.0 112.435 -177.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.97 -6.65 55.44 Favored 'General case' 0 C--N 1.36 1.054 0 C-N-CA 125.022 1.329 . . . . 0.0 112.352 171.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -85.14 -16.64 39.77 Favored 'General case' 0 C--N 1.37 1.48 0 C-N-CA 127.267 2.227 . . . . 0.0 111.63 176.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.0 -21.88 66.43 Favored 'General case' 0 C--N 1.361 1.077 0 N-CA-C 116.022 1.86 . . . . 0.0 116.022 177.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.9 m -91.06 -17.71 25.78 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 125.878 1.671 . . . . 0.0 113.7 172.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -90.78 -24.15 20.43 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 129.279 3.032 . . . . 0.0 111.556 -170.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -77.57 18.16 0.46 Allowed 'General case' 0 C--N 1.368 1.377 0 C-N-CA 127.141 2.176 . . . . 0.0 112.601 173.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.7 -27.2 19.13 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 128.742 2.817 . . . . 0.0 112.221 171.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -82.01 8.0 11.74 Favored 'General case' 0 C--N 1.375 1.691 0 C-N-CA 126.595 1.958 . . . . 0.0 114.045 -173.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.81 -30.02 35.92 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 127.502 2.321 . . . . 0.0 110.416 176.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.09 -19.38 43.79 Favored 'General case' 0 C--N 1.356 0.889 0 C-N-CA 127.426 2.29 . . . . 0.0 112.27 -175.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.69 -1.15 57.88 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 126.489 1.915 . . . . 0.0 110.722 171.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -129.5 -71.35 0.62 Allowed 'General case' 0 C--N 1.364 1.238 0 CA-C-O 121.957 0.884 . . . . 0.0 111.933 -171.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -100.96 6.49 43.58 Favored 'General case' 0 CA--C 1.506 -0.75 0 O-C-N 119.803 -1.81 . . . . 0.0 112.245 -165.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -92.52 -68.73 0.78 Allowed 'General case' 0 C--N 1.36 1.052 0 C-N-CA 125.313 1.445 . . . . 0.0 114.001 149.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.1 m -95.17 -4.38 10.43 Favored 'Isoleucine or valine' 0 C--N 1.363 1.176 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -156.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.409 ' HB3' ' H ' ' A' ' 37' ' ' LEU . 8.7 t-20 -119.93 -83.21 0.65 Allowed 'General case' 0 CA--C 1.503 -0.834 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 -163.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.409 ' H ' ' HB3' ' A' ' 36' ' ' ASN . 3.7 mm? 68.14 21.42 8.65 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 127.197 2.199 . . . . 0.0 114.346 178.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.258 1.529 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 173.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.491 -1.31 0 N-CA-C 103.468 -2.79 . . . . 0.0 103.468 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 174.42 176.66 0.15 Allowed 'General case' 0 N--CA 1.434 -1.257 1 N-CA-C 98.747 -4.538 . . . . 0.0 98.747 -170.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -128.31 81.65 2.04 Favored 'General case' 0 CA--C 1.505 -0.763 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 -171.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? 106.92 -48.26 0.0 OUTLIER 'General case' 0 C--N 1.368 1.389 0 C-N-CA 129.353 3.061 . . . . 0.0 107.096 -175.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.2 mttt 102.45 -157.08 0.0 OUTLIER 'General case' 0 C--N 1.363 1.181 1 C-N-CA 132.536 4.335 . . . . 0.0 105.981 -173.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.61 -179.18 5.28 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 127.338 2.255 . . . . 0.0 109.403 169.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -100.6 96.62 7.48 Favored 'General case' 0 N--CA 1.438 -1.059 0 N-CA-C 103.962 -2.607 . . . . 0.0 103.962 165.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -139.67 -115.12 0.14 Allowed 'General case' 0 C--N 1.359 0.999 0 N-CA-C 103.547 -2.76 . . . . 0.0 103.547 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.49 91.52 5.76 Favored 'General case' 0 C--N 1.373 1.624 0 C-N-CA 125.583 1.553 . . . . 0.0 110.066 178.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.5 t 165.2 -141.69 0.0 OUTLIER 'General case' 0 N--CA 1.439 -0.99 1 N-CA-C 98.389 -4.671 . . . . 0.0 98.389 -149.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.43 -31.36 63.79 Favored 'General case' 0 CA--C 1.487 -1.454 0 C-N-CA 129.673 3.189 . . . . 0.0 112.147 -163.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -86.11 -17.72 34.29 Favored 'General case' 0 CA--C 1.504 -0.817 0 C-N-CA 124.153 0.981 . . . . 0.0 110.497 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.63 -30.99 24.46 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 123.714 0.806 . . . . 0.0 110.734 168.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -89.88 -40.76 12.21 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 125.355 1.462 . . . . 0.0 111.851 -171.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.427 ' O ' ' HB2' ' A' ' 19' ' ' ASP . 5.2 tp-100 -69.13 -22.86 63.93 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 126.407 1.883 . . . . 0.0 109.482 177.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.16 -0.24 35.16 Favored 'General case' 0 C--N 1.358 0.939 0 C-N-CA 125.678 1.591 . . . . 0.0 114.042 171.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.51 -43.96 9.37 Favored 'General case' 0 C--N 1.37 1.467 0 C-N-CA 124.529 1.132 . . . . 0.0 109.733 159.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -83.11 -21.11 33.75 Favored 'General case' 0 C--N 1.356 0.889 0 C-N-CA 126.499 1.92 . . . . 0.0 112.942 -168.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.427 ' HB2' ' O ' ' A' ' 15' ' ' GLN . 1.4 t70 -82.07 -0.8 46.21 Favored 'General case' 0 C--N 1.362 1.126 0 O-C-N 120.037 -1.664 . . . . 0.0 111.829 179.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.55 -21.8 21.6 Favored 'General case' 0 C--N 1.363 1.154 0 C-N-CA 127.407 2.283 . . . . 0.0 112.18 161.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -90.7 -24.52 20.41 Favored 'General case' 0 C--N 1.375 1.712 0 C-N-CA 125.307 1.443 . . . . 0.0 110.088 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -69.4 -31.61 70.09 Favored 'General case' 0 C--N 1.366 1.319 0 C-N-CA 129.773 3.229 . . . . 0.0 112.667 175.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.65 -30.82 64.62 Favored 'General case' 0 C--N 1.36 1.057 0 CA-C-N 121.092 1.769 . . . . 0.0 114.529 -171.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.8 t -90.87 0.76 57.4 Favored 'General case' 0 C--N 1.358 0.958 0 C-N-CA 125.067 1.347 . . . . 0.0 111.61 170.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.81 -8.84 48.53 Favored 'General case' 0 C--N 1.369 1.448 0 C-N-CA 127.493 2.317 . . . . 0.0 109.153 172.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -84.71 4.8 30.99 Favored 'General case' 0 C--N 1.36 1.064 0 C-N-CA 127.288 2.235 . . . . 0.0 111.865 171.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.19 -10.59 41.16 Favored 'General case' 0 C--N 1.361 1.107 0 C-N-CA 126.431 1.893 . . . . 0.0 114.742 161.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -64.05 -24.28 67.65 Favored 'General case' 0 C--N 1.372 1.577 0 C-N-CA 128.128 2.571 . . . . 0.0 114.644 -162.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -88.9 -23.44 22.73 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 126.439 1.895 . . . . 0.0 113.931 175.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.23 -29.31 18.27 Favored 'General case' 0 C--N 1.362 1.137 0 O-C-N 120.616 -1.303 . . . . 0.0 109.334 177.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.84 28.87 1.44 Allowed 'General case' 0 C--N 1.36 1.052 0 C-N-CA 129.626 3.171 . . . . 0.0 111.777 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.9 tptt -105.88 -84.92 0.5 Allowed 'General case' 0 C--N 1.358 0.937 0 C-N-CA 126.856 2.063 . . . . 0.0 107.832 174.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -74.42 -17.25 60.82 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 126.597 1.959 . . . . 0.0 115.202 -166.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.91 -43.73 9.82 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 124.361 1.064 . . . . 0.0 112.655 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.5 t -103.79 -28.8 2.95 Favored 'Isoleucine or valine' 0 C--N 1.357 0.91 0 C-N-CA 123.79 0.836 . . . . 0.0 109.657 -158.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -127.28 -32.39 2.47 Favored 'General case' 0 C--N 1.357 0.899 0 O-C-N 121.636 -0.665 . . . . 0.0 110.674 -177.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . 0.295 1.5 mm? 91.1 -3.79 0.23 Allowed 'General case' 0 C--N 1.363 1.159 0 C-N-CA 127.398 2.279 . . . . 0.0 111.933 170.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.269 2.124 0 CA-C-N 121.321 1.873 . . . . 0.0 108.045 -167.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 . . . . . 0 N--CA 1.481 1.118 1 N-CA-C 99.818 -4.141 . . . . 0.0 99.818 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.97 166.93 10.24 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 125.712 1.605 . . . . 0.0 108.186 -176.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -159.2 132.42 7.13 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 101.865 -3.383 . . . . 0.0 101.865 174.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 48.1 tttp -171.23 99.36 0.2 Allowed 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 103.942 -2.614 . . . . 0.0 103.942 164.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.5 149.91 35.5 Favored 'General case' 0 CA--C 1.498 -1.047 1 N-CA-C 98.817 -4.512 . . . . 0.0 98.817 174.064 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.51 -29.02 17.22 Favored 'General case' 0 C--N 1.359 1.007 0 C-N-CA 126.057 1.743 . . . . 0.0 112.732 178.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.37 -63.44 1.13 Allowed 'General case' 0 C--N 1.363 1.156 0 C-N-CA 125.117 1.367 . . . . 0.0 107.834 -175.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . 0.278 11.3 tt0 104.39 130.18 0.01 OUTLIER 'General case' 0 C--N 1.362 1.11 0 C-N-CA 131.195 3.798 . . . . 0.0 107.667 172.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.23 49.32 0.91 Allowed 'General case' 0 C--N 1.363 1.162 0 O-C-N 120.269 -1.519 . . . . 0.0 108.897 -174.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.7 m -130.33 -146.23 0.3 Allowed 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 101.524 -3.51 . . . . 0.0 101.524 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -63.16 -18.55 63.59 Favored 'General case' 0 C--N 1.366 1.312 0 C-N-CA 127.83 2.452 . . . . 0.0 114.733 -173.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -86.76 -2.92 58.94 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 119.948 -1.72 . . . . 0.0 112.679 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.98 -39.25 4.27 Favored 'General case' 0 CA--C 1.499 -0.998 0 N-CA-C 106.649 -1.611 . . . . 0.0 106.649 159.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -74.49 -27.03 60.38 Favored 'General case' 0 C--N 1.363 1.155 0 C-N-CA 126.684 1.994 . . . . 0.0 115.199 -169.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -74.97 -28.18 60.46 Favored 'General case' 0 C--N 1.372 1.584 0 O-C-N 119.4 -2.062 . . . . 0.0 111.045 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.58 -6.6 58.83 Favored 'General case' 0 C--N 1.363 1.171 0 C-N-CA 126.613 1.965 . . . . 0.0 113.821 178.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.12 -30.41 16.73 Favored 'General case' 0 C--N 1.364 1.234 0 CA-C-O 122.531 1.158 . . . . 0.0 110.902 164.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.1 tttp -79.27 -20.46 48.02 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 125.492 1.517 . . . . 0.0 111.058 -163.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -90.15 -3.72 57.71 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 124.224 1.01 . . . . 0.0 111.582 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.13 -37.25 13.5 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 126.768 2.027 . . . . 0.0 112.013 168.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -82.18 -26.97 32.93 Favored 'General case' 0 C--N 1.371 1.539 0 C-N-CA 126.959 2.104 . . . . 0.0 111.557 178.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -63.77 -17.63 63.25 Favored 'General case' 0 C--N 1.378 1.84 0 C-N-CA 127.312 2.245 . . . . 0.0 114.799 173.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.55 -31.95 63.92 Favored 'General case' 0 C--N 1.364 1.2 0 C-N-CA 125.453 1.501 . . . . 0.0 113.072 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.57 -6.42 54.71 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 126.353 1.861 . . . . 0.0 112.293 173.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.8 tmtm? -90.25 -28.1 19.05 Favored 'General case' 0 C--N 1.361 1.093 0 O-C-N 119.695 -1.878 . . . . 0.0 111.569 -172.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -14.76 62.47 Favored 'General case' 0 C--N 1.373 1.61 0 C-N-CA 127.009 2.124 . . . . 0.0 112.439 -174.097 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.587 ' HA ' ' HB3' ' A' ' 30' ' ' ALA . . . -77.91 3.4 14.63 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 130.691 3.596 . . . . 0.0 113.901 -179.408 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -90.54 -49.36 6.54 Favored 'General case' 0 C--N 1.361 1.106 0 C-N-CA 127.522 2.329 . . . . 0.0 111.099 168.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -71.39 -22.36 61.88 Favored 'General case' 0 C--N 1.366 1.322 0 C-N-CA 128.674 2.789 . . . . 0.0 110.051 173.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.587 ' HB3' ' HA ' ' A' ' 27' ' ' ALA . . . -75.64 17.6 0.29 Allowed 'General case' 0 C--N 1.361 1.095 0 C-N-CA 125.756 1.623 . . . . 0.0 114.911 173.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.4 3.54 53.52 Favored 'General case' 0 C--N 1.368 1.394 0 C-N-CA 125.57 1.548 . . . . 0.0 110.952 159.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -114.7 -93.52 0.48 Allowed 'General case' 0 C--N 1.356 0.857 0 C-N-CA 127.526 2.33 . . . . 0.0 110.542 175.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.4 mp0 -77.46 -14.73 59.62 Favored 'General case' 0 C--N 1.366 1.322 0 C-N-CA 126.179 1.791 . . . . 0.0 114.117 -155.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.75 -11.38 39.75 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 127.345 2.258 . . . . 0.0 112.462 176.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 77.2 t -111.99 -58.64 3.52 Favored 'Isoleucine or valine' 0 C--N 1.36 1.059 0 C-N-CA 125.67 1.588 . . . . 0.0 108.068 -173.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -121.88 -21.99 5.89 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 121.815 -0.553 . . . . 0.0 112.202 -164.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.9 mp 74.66 6.73 4.47 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 126.028 1.731 . . . . 0.0 115.394 165.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.2 ttpt . . . . . 0 C--O 1.258 1.545 0 CA-C-N 119.833 1.197 . . . . 0.0 109.007 -161.669 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . 0.298 1.4 mp0 . . . . . 0 CA--C 1.484 -1.561 0 CA-C-O 118.528 -0.749 . . . . 0.0 111.668 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.54 160.64 43.21 Favored 'General case' 0 CA--C 1.498 -1.027 0 N-CA-C 102.485 -3.154 . . . . 0.0 102.485 -173.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.278 73.7 t80 88.52 131.49 0.03 OUTLIER 'General case' 0 C--N 1.361 1.088 0 C-N-CA 128.187 2.595 . . . . 0.0 110.234 -173.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 43.4 mttm -165.89 73.06 0.17 Allowed 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 103.191 -2.892 . . . . 0.0 103.191 169.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . 0.309 29.6 mtmm 92.71 133.14 0.03 OUTLIER 'General case' 0 C--N 1.354 0.798 0 C-N-CA 128.192 2.597 . . . . 0.0 113.371 171.029 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.03 167.98 11.99 Favored 'General case' 0 C--N 1.367 1.329 0 C-N-CA 125.852 1.661 . . . . 0.0 108.722 173.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.5 tttt -99.75 2.44 44.18 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.767 -161.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -165.65 -73.94 0.03 OUTLIER 'General case' 0 C--N 1.359 1.014 0 N-CA-C 105.096 -2.187 . . . . 0.0 105.096 168.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.42 -78.73 0.51 Allowed 'General case' 0 C--N 1.358 0.958 0 C-N-CA 125.097 1.359 . . . . 0.0 111.43 -169.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.2 m -157.12 -158.89 0.8 Allowed 'General case' 0 CA--C 1.496 -1.096 0 N-CA-C 101.918 -3.364 . . . . 0.0 101.918 -164.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -70.09 -15.34 62.97 Favored 'General case' 0 C--N 1.363 1.178 0 C-N-CA 125.19 1.396 . . . . 0.0 113.539 -172.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -69.75 -22.36 63.37 Favored 'General case' 0 C--N 1.359 1.019 0 C-N-CA 126.978 2.111 . . . . 0.0 114.472 164.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.23 -14.01 21.66 Favored 'General case' 0 C--N 1.365 1.272 0 O-C-N 119.307 -2.12 . . . . 0.0 109.415 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 -90.68 -35.31 15.01 Favored 'General case' 0 N--CA 1.433 -1.277 0 C-N-CA 127.782 2.433 . . . . 0.0 111.667 173.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -81.51 -43.46 18.76 Favored 'General case' 0 C--N 1.366 1.321 0 C-N-CA 126.657 1.983 . . . . 0.0 112.636 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.05 -5.56 49.31 Favored 'General case' 0 C--N 1.366 1.283 0 O-C-N 120.314 -1.492 . . . . 0.0 112.541 -177.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.58 -20.87 22.11 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 128.932 2.893 . . . . 0.0 111.161 166.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -90.89 -26.66 19.23 Favored 'General case' 0 C--N 1.361 1.108 0 C-N-CA 126.231 1.813 . . . . 0.0 111.076 -176.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -90.3 -2.35 58.0 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 120.571 -1.331 . . . . 0.0 110.193 -176.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.23 -31.2 17.1 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 126.56 1.944 . . . . 0.0 111.428 171.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -90.34 -13.58 34.85 Favored 'General case' 0 C--N 1.373 1.607 0 C-N-CA 125.712 1.605 . . . . 0.0 111.278 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.417 ' HA ' ' HB2' ' A' ' 25' ' ' LYS . 17.8 m-20 -82.31 -12.45 57.99 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 126.459 1.904 . . . . 0.0 111.604 -177.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.57 -35.81 63.04 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 124.595 1.158 . . . . 0.0 113.609 -177.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.624 ' HA ' ' HB3' ' A' ' 27' ' ' ALA . 4.5 p -89.99 -8.0 52.66 Favored 'General case' 0 C--N 1.359 0.993 0 C-N-CA 126.248 1.819 . . . . 0.0 110.791 175.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 22' ' ' ASN . 1.5 mptm? -90.58 -11.64 39.39 Favored 'General case' 0 C--N 1.349 0.555 0 C-N-CA 127.065 2.146 . . . . 0.0 114.047 174.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -90.83 -19.5 23.36 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 124.115 0.966 . . . . 0.0 110.978 156.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.624 ' HB3' ' HA ' ' A' ' 24' ' ' SER . . . -90.27 -31.79 16.82 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 124.972 1.309 . . . . 0.0 112.172 -168.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -66.1 -16.36 63.87 Favored 'General case' 0 C--N 1.373 1.595 0 C-N-CA 128.397 2.679 . . . . 0.0 114.579 174.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -85.71 -0.25 54.68 Favored 'General case' 0 C--N 1.372 1.558 0 C-N-CA 125.22 1.408 . . . . 0.0 114.259 -167.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.01 -47.37 16.37 Favored 'General case' 0 C--N 1.363 1.153 0 O-C-N 120.892 -1.13 . . . . 0.0 111.445 169.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.83 -60.04 2.04 Favored 'General case' 0 C--N 1.358 0.959 0 C-N-CA 126.407 1.883 . . . . 0.0 110.453 177.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.4 mtmt 78.79 84.54 0.06 Allowed 'General case' 0 C--N 1.361 1.074 0 C-N-CA 128.647 2.779 . . . . 0.0 110.428 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -97.11 -14.0 21.81 Favored 'General case' 0 C--N 1.359 0.998 0 CA-C-O 121.704 0.764 . . . . 0.0 111.603 -178.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.79 -60.74 1.79 Allowed 'General case' 0 C--N 1.358 0.965 0 C-N-CA 128.419 2.688 . . . . 0.0 111.473 175.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.7 p -100.67 16.68 4.0 Favored 'Isoleucine or valine' 0 C--N 1.36 1.04 0 C-N-CA 124.875 1.27 . . . . 0.0 110.443 -162.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.495 ' O ' HD22 ' A' ' 37' ' ' LEU . 24.2 t30 -161.19 159.16 28.52 Favored 'General case' 0 N--CA 1.438 -1.043 1 N-CA-C 97.968 -4.827 . . . . 0.0 97.968 177.128 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.495 HD22 ' O ' ' A' ' 36' ' ' ASN . 1.4 mm? -154.47 28.68 0.44 Allowed 'General case' 0 C--N 1.358 0.941 0 N-CA-C 104.18 -2.526 . . . . 0.0 104.18 173.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.259 1.559 0 O-C-N 119.499 -2.0 . . . . 0.0 106.88 -177.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 . . . . . 0 N--CA 1.485 1.291 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 74.57 155.11 0.16 Allowed 'General case' 0 C--N 1.365 1.263 0 C-N-CA 129.174 2.99 . . . . 0.0 113.353 -174.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -155.02 -55.82 0.1 Allowed 'General case' 0 C--N 1.353 0.737 0 O-C-N 121.218 -0.926 . . . . 0.0 109.451 179.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -154.18 103.85 2.57 Favored 'General case' 0 CA--C 1.5 -0.947 0 N-CA-C 102.917 -2.994 . . . . 0.0 102.917 -174.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -147.53 157.77 43.71 Favored 'General case' 0 CA--C 1.493 -1.242 0 N-CA-C 100.493 -3.891 . . . . 0.0 100.493 -168.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.67 148.77 22.4 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 125.727 1.611 . . . . 0.0 110.31 175.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.432 ' HA ' ' HB1' ' A' ' 13' ' ' ALA . 2.3 ttpm? -95.3 80.94 3.57 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 126.036 1.735 . . . . 0.0 110.328 -169.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -138.08 -20.83 1.1 Allowed 'General case' 0 C--N 1.358 0.974 0 C-N-CA 124.924 1.29 . . . . 0.0 110.988 -171.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -97.52 -67.89 0.83 Allowed 'General case' 0 C--N 1.369 1.44 0 CA-C-N 120.685 1.584 . . . . 0.0 110.868 -171.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.5 m -162.8 -136.69 0.03 OUTLIER 'General case' 0 CA--C 1.501 -0.923 0 N-CA-C 104.588 -2.375 . . . . 0.0 104.588 -175.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.573 ' HA ' ' HB2' ' A' ' 14' ' ' GLU . 16.1 pt20 -88.83 -13.33 39.57 Favored 'General case' 0 C--N 1.368 1.406 0 C-N-CA 123.78 0.832 . . . . 0.0 111.391 -172.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.7 -4.64 56.78 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 130.865 3.666 . . . . 0.0 110.745 172.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.432 ' HB1' ' HA ' ' A' ' 7' ' ' LYS . . . -112.33 -14.49 13.3 Favored 'General case' 0 N--CA 1.437 -1.12 0 C-N-CA 126.844 2.058 . . . . 0.0 107.766 176.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.573 ' HB2' ' HA ' ' A' ' 11' ' ' GLN . 0.5 OUTLIER -90.61 -43.81 9.93 Favored 'General case' 0 C--N 1.365 1.254 0 C-N-CA 128.609 2.764 . . . . 0.0 107.649 177.246 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -62.34 -10.57 11.58 Favored 'General case' 0 C--N 1.367 1.361 0 C-N-CA 129.114 2.966 . . . . 0.0 116.23 -178.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.51 -19.3 31.39 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 119.979 -1.7 . . . . 0.0 114.569 165.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.9 -38.89 12.03 Favored 'General case' 0 C--N 1.363 1.182 0 C-N-CA 125.696 1.599 . . . . 0.0 111.88 165.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.1 tttp -87.35 -9.0 56.0 Favored 'General case' 0 C--N 1.374 1.658 0 C-N-CA 128.409 2.683 . . . . 0.0 112.236 -159.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.28 14.14 4.64 Favored 'General case' 0 C--N 1.365 1.244 0 O-C-N 120.29 -1.506 . . . . 0.0 111.737 175.554 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.56 -44.93 9.24 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 129.636 3.174 . . . . 0.0 111.671 167.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.85 -13.05 34.48 Favored 'General case' 0 C--N 1.381 1.964 0 C-N-CA 125.727 1.611 . . . . 0.0 111.616 -173.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.8 m-20 -62.37 -25.59 68.0 Favored 'General case' 0 C--N 1.372 1.561 0 C-N-CA 128.153 2.581 . . . . 0.0 112.257 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.21 -31.77 70.58 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 128.405 2.682 . . . . 0.0 114.489 174.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.88 -16.71 27.72 Favored 'General case' 0 C--N 1.354 0.8 0 C-N-CA 125.923 1.689 . . . . 0.0 113.062 171.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -90.28 -14.44 33.25 Favored 'General case' 0 C--N 1.351 0.647 0 C-N-CA 124.115 0.966 . . . . 0.0 113.126 177.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -85.3 -28.04 25.55 Favored 'General case' 0 C--N 1.369 1.424 0 C-N-CA 125.811 1.645 . . . . 0.0 109.959 167.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.01 2.43 30.99 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 127.461 2.305 . . . . 0.0 111.342 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.35 -54.96 5.83 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 128.879 2.872 . . . . 0.0 111.263 177.211 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -89.85 -24.59 21.36 Favored 'General case' 0 C--N 1.363 1.195 0 C-N-CA 125.516 1.527 . . . . 0.0 111.196 177.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.64 -24.78 33.64 Favored 'General case' 0 C--N 1.362 1.151 0 O-C-N 119.964 -1.71 . . . . 0.0 114.026 -177.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.19 1.99 56.69 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 120.304 -1.497 . . . . 0.0 113.411 169.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.9 tmmt? -69.43 -48.97 59.29 Favored 'General case' 0 C--N 1.374 1.664 0 N-CA-C 115.831 1.789 . . . . 0.0 115.831 -164.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -90.88 -16.6 27.91 Favored 'General case' 0 C--N 1.368 1.38 0 C-N-CA 125.137 1.375 . . . . 0.0 109.913 174.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.32 -45.91 8.73 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 126.956 2.102 . . . . 0.0 111.351 -162.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.273 2.8 t 67.17 18.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.367 1.337 0 C-N-CA 128.343 2.657 . . . . 0.0 113.482 173.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.418 ' ND2' ' H ' ' A' ' 37' ' ' LEU . 0.6 OUTLIER -160.44 -69.43 0.07 Allowed 'General case' 0 C--N 1.356 0.87 0 O-C-N 120.114 -1.616 . . . . 0.0 107.306 -171.497 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.418 ' H ' ' ND2' ' A' ' 36' ' ' ASN . 0.3 OUTLIER 71.01 39.15 1.02 Allowed 'General case' 0 C--N 1.362 1.149 0 C-N-CA 129.633 3.173 . . . . 0.0 112.996 -176.856 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt . . . . . 0 C--O 1.265 1.886 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 175.958 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 . . . . . 0 CA--C 1.496 -1.101 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.97 -22.22 45.97 Favored 'General case' 0 C--N 1.364 1.216 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -160.38 167.85 26.48 Favored 'General case' 0 CA--C 1.498 -1.035 1 N-CA-C 99.934 -4.099 . . . . 0.0 99.934 175.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.312 1.5 mmmt 82.68 13.01 0.49 Allowed 'General case' 0 C--N 1.365 1.269 0 C-N-CA 128.605 2.762 . . . . 0.0 113.437 -179.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . 0.29 30.5 mmtm 79.25 -83.12 0.02 OUTLIER 'General case' 0 C--N 1.364 1.206 0 C-N-CA 129.099 2.959 . . . . 0.0 111.89 172.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.85 -102.46 0.11 Allowed 'General case' 0 C--N 1.356 0.87 0 C-N-CA 124.628 1.171 . . . . 0.0 109.806 176.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -100.61 170.51 8.32 Favored 'General case' 0 C--N 1.358 0.96 0 N-CA-C 105.595 -2.002 . . . . 0.0 105.595 173.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -67.37 -76.76 0.08 Allowed 'General case' 0 C--N 1.351 0.663 0 C-N-CA 126.584 1.954 . . . . 0.0 114.851 -168.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.91 -27.09 13.18 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 123.894 0.878 . . . . 0.0 109.587 169.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.285 20.2 m 75.43 26.14 1.18 Allowed 'General case' 0 C--N 1.367 1.36 0 C-N-CA 129.218 3.007 . . . . 0.0 115.425 -174.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -84.66 -33.77 23.16 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 125.903 1.681 . . . . 0.0 111.498 -175.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.7 -9.57 59.66 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 128.244 2.618 . . . . 0.0 111.346 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.35 -21.45 18.97 Favored 'General case' 0 C--N 1.356 0.877 0 C-N-CA 125.407 1.483 . . . . 0.0 110.039 179.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -91.81 -45.96 8.12 Favored 'General case' 0 C--N 1.364 1.217 0 C-N-CA 126.715 2.006 . . . . 0.0 109.859 176.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -73.67 -20.95 60.41 Favored 'General case' 0 C--N 1.364 1.204 0 C-N-CA 126.28 1.832 . . . . 0.0 112.209 -170.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.93 -24.13 66.05 Favored 'General case' 0 C--N 1.362 1.115 0 C-N-CA 125.426 1.49 . . . . 0.0 114.688 166.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.66 -19.56 26.04 Favored 'General case' 0 C--N 1.372 1.558 0 CA-C-N 120.274 1.397 . . . . 0.0 113.455 178.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -88.82 -24.35 22.6 Favored 'General case' 0 C--N 1.361 1.075 0 O-C-N 121.001 -1.062 . . . . 0.0 111.262 -173.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.27 12.4 2.94 Favored 'General case' 0 C--N 1.36 1.037 0 C-N-CA 125.841 1.657 . . . . 0.0 114.605 -172.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.58 -30.26 17.32 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 128.695 2.798 . . . . 0.0 111.339 166.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -90.67 -33.98 15.6 Favored 'General case' 0 C--N 1.368 1.411 0 C-N-CA 126.683 1.993 . . . . 0.0 108.681 175.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -73.38 -5.79 42.06 Favored 'General case' 0 C--N 1.371 1.521 0 C-N-CA 125.024 1.33 . . . . 0.0 113.83 -177.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.07 -29.93 58.15 Favored 'General case' 0 C--N 1.355 0.819 0 O-C-N 120.762 -1.211 . . . . 0.0 112.671 178.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.0 t -91.62 -26.44 18.69 Favored 'General case' 0 C--N 1.365 1.265 0 C-N-CA 124.641 1.176 . . . . 0.0 110.878 165.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -89.15 23.45 2.44 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 125.722 1.609 . . . . 0.0 113.186 -177.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.93 -8.36 59.19 Favored 'General case' 0 C--N 1.36 1.023 0 C-N-CA 127.147 2.179 . . . . 0.0 111.526 175.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.81 -24.92 67.7 Favored 'General case' 0 C--N 1.368 1.383 0 C-N-CA 127.922 2.489 . . . . 0.0 114.332 166.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -68.83 -10.58 57.65 Favored 'General case' 0 C--N 1.379 1.859 0 C-N-CA 127.034 2.134 . . . . 0.0 115.056 -176.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -91.54 -47.58 7.33 Favored 'General case' 0 C--N 1.361 1.085 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 170.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.22 -30.49 17.53 Favored 'General case' 0 C--N 1.36 1.022 0 O-C-N 120.704 -1.247 . . . . 0.0 112.165 -172.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.67 -44.78 9.28 Favored 'General case' 0 C--N 1.366 1.325 0 C-N-CA 124.504 1.122 . . . . 0.0 111.325 171.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.278 13.7 mtpt 76.76 61.69 0.04 OUTLIER 'General case' 0 C--N 1.364 1.229 0 C-N-CA 126.089 1.756 . . . . 0.0 113.517 174.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -73.01 -30.2 63.59 Favored 'General case' 0 C--N 1.36 1.033 0 C-N-CA 125.08 1.352 . . . . 0.0 113.517 -159.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.56 -21.18 23.01 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 125.945 1.698 . . . . 0.0 111.804 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 44.3 t -99.67 -26.76 3.64 Favored 'Isoleucine or valine' 0 C--N 1.363 1.157 0 O-C-N 120.933 -1.105 . . . . 0.0 109.725 -169.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -87.3 -77.13 0.34 Allowed 'General case' 0 C--N 1.359 0.991 0 C-N-CA 127.323 2.249 . . . . 0.0 108.677 -176.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 105.95 -10.69 0.01 OUTLIER 'General case' 0 C--N 1.367 1.332 0 C-N-CA 128.211 2.605 . . . . 0.0 110.549 175.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.275 2.4 0 C-N-CA 124.055 0.942 . . . . 0.0 112.698 -173.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 . . . . . 0 CA--C 1.495 -1.149 0 N-CA-C 103.769 -2.678 . . . . 0.0 103.769 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.02 74.29 0.71 Allowed 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 105.168 -2.16 . . . . 0.0 105.168 177.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.269 11.2 t80 92.0 -102.77 0.0 OUTLIER 'General case' 0 C--N 1.364 1.199 0 C-N-CA 128.644 2.777 . . . . 0.0 109.095 176.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.263 74.0 mmtt 76.06 -90.1 0.02 OUTLIER 'General case' 0 C--N 1.36 1.054 0 C-N-CA 128.958 2.903 . . . . 0.0 112.825 -178.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -141.89 51.81 1.51 Allowed 'General case' 0 C--N 1.358 0.949 0 N-CA-C 105.755 -1.942 . . . . 0.0 105.755 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.86 107.58 19.19 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 126.463 1.905 . . . . 0.0 109.785 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.96 -7.18 23.59 Favored 'General case' 0 C--N 1.36 1.063 0 C-N-CA 126.613 1.965 . . . . 0.0 113.611 -168.329 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.34 -168.59 0.2 Allowed 'General case' 0 CA--C 1.5 -0.969 1 N-CA-C 96.649 -5.315 . . . . 0.0 96.649 -158.142 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.49 -165.91 1.26 Allowed 'General case' 0 C--N 1.354 0.794 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 166.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.9 m -96.23 40.74 1.12 Allowed 'General case' 0 CA--C 1.512 -0.481 0 C-N-CA 125.406 1.483 . . . . 0.0 111.818 -168.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -88.75 -32.71 17.78 Favored 'General case' 0 C--N 1.362 1.152 0 C-N-CA 130.532 3.533 . . . . 0.0 109.725 177.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -92.57 7.46 43.19 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 127.763 2.425 . . . . 0.0 109.373 -174.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.47 -9.36 10.87 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 127.009 2.123 . . . . 0.0 108.527 169.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -90.84 -39.42 12.35 Favored 'General case' 0 C--N 1.371 1.514 0 CA-C-N 119.18 0.9 . . . . 0.0 109.452 173.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.4 tm0? -76.03 -44.73 37.87 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 125.32 1.448 . . . . 0.0 111.433 -175.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.97 4.84 31.79 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 125.487 1.515 . . . . 0.0 112.247 179.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.27 -22.37 20.61 Favored 'General case' 0 C--N 1.358 0.959 0 C-N-CA 127.15 2.18 . . . . 0.0 111.98 159.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -88.16 -36.05 17.06 Favored 'General case' 0 C--N 1.376 1.741 0 C-N-CA 124.811 1.245 . . . . 0.0 110.605 -164.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -88.96 26.3 1.59 Allowed 'General case' 0 C--N 1.362 1.11 0 C-N-CA 127.661 2.384 . . . . 0.0 111.414 -171.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.46 -52.66 4.8 Favored 'General case' 0 N--CA 1.439 -0.997 0 C-N-CA 128.399 2.679 . . . . 0.0 109.144 157.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -90.53 -34.37 15.56 Favored 'General case' 0 C--N 1.364 1.2 0 C-N-CA 126.693 1.997 . . . . 0.0 110.251 -168.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -70.73 -21.64 62.52 Favored 'General case' 0 C--N 1.359 0.993 0 C-N-CA 129.914 3.286 . . . . 0.0 111.63 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.36 -24.88 50.63 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 125.975 1.71 . . . . 0.0 113.414 -177.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.4 m -90.9 -22.68 20.78 Favored 'General case' 0 C--N 1.36 1.023 0 C-N-CA 125.905 1.682 . . . . 0.0 111.518 170.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -79.31 -29.8 42.55 Favored 'General case' 0 C--N 1.368 1.401 0 C-N-CA 126.175 1.79 . . . . 0.0 111.003 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -59.72 -39.0 83.21 Favored 'General case' 0 C--N 1.369 1.419 0 C-N-CA 129.006 2.922 . . . . 0.0 113.635 167.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.7 7.75 37.94 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 125.556 1.542 . . . . 0.0 114.056 179.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -88.92 -22.22 23.21 Favored 'General case' 0 C--N 1.367 1.336 0 C-N-CA 124.024 0.93 . . . . 0.0 113.417 -178.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -90.34 -35.63 15.12 Favored 'General case' 0 C--N 1.365 1.239 0 C-N-CA 126.544 1.937 . . . . 0.0 110.585 -179.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.8 -13.12 61.6 Favored 'General case' 0 C--N 1.365 1.27 0 C-N-CA 126.956 2.102 . . . . 0.0 113.203 178.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.32 0.54 36.63 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 127.694 2.398 . . . . 0.0 112.685 171.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -136.42 -38.79 0.67 Allowed 'General case' 0 C--N 1.36 1.053 0 C-N-CA 125.576 1.551 . . . . 0.0 112.034 -175.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -57.09 -40.12 76.33 Favored 'General case' 0 C--N 1.387 2.203 0 C-N-CA 126.465 1.906 . . . . 0.0 114.438 -173.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.1 -84.91 0.24 Allowed 'General case' 0 C--N 1.353 0.757 0 C-N-CA 126.863 2.065 . . . . 0.0 110.254 170.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -170.01 -40.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.361 1.079 0 C-N-CA 127.575 2.35 . . . . 0.0 107.474 177.086 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -137.6 -87.32 0.28 Allowed 'General case' 0 C--N 1.358 0.946 0 N-CA-C 105.51 -2.033 . . . . 0.0 105.51 -169.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 mt 64.49 29.38 13.31 Favored 'General case' 0 C--N 1.365 1.253 0 C-N-CA 126.302 1.841 . . . . 0.0 113.403 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.7 tttt . . . . . 0 C--O 1.261 1.689 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 -166.173 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 . . . . . 0 N--CA 1.485 1.307 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.13 140.99 48.99 Favored 'General case' 0 CA--C 1.497 -1.089 0 N-CA-C 102.089 -3.3 . . . . 0.0 102.089 167.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -147.8 -96.55 0.08 Allowed 'General case' 0 N--CA 1.441 -0.891 1 N-CA-C 99.811 -4.144 . . . . 0.0 99.811 -173.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -166.73 143.58 4.77 Favored 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 102.68 -3.081 . . . . 0.0 102.68 175.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.26 149.8 29.09 Favored 'General case' 0 C--N 1.358 0.935 1 N-CA-C 97.03 -5.174 . . . . 0.0 97.03 165.409 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.405 ' HB1' ' H ' ' A' ' 7' ' ' LYS . . . -91.54 -143.23 0.19 Allowed 'General case' 0 C--N 1.367 1.331 0 C-N-CA 125.481 1.513 . . . . 0.0 111.814 171.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.405 ' H ' ' HB1' ' A' ' 6' ' ' ALA . 7.1 mptt -100.91 118.5 37.07 Favored 'General case' 0 C--N 1.36 1.032 0 C-N-CA 128.446 2.699 . . . . 0.0 105.095 168.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -145.33 -64.12 0.33 Allowed 'General case' 0 C--N 1.356 0.862 0 N-CA-C 105.67 -1.974 . . . . 0.0 105.67 -165.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.1 -145.11 0.33 Allowed 'General case' 0 C--N 1.365 1.25 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 171.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.7 19.22 20.8 Favored 'General case' 0 CA--C 1.493 -1.234 0 CA-C-N 120.022 1.283 . . . . 0.0 113.03 -173.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -83.58 -6.01 59.33 Favored 'General case' 0 C--N 1.349 0.582 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -170.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -99.59 -30.02 12.37 Favored 'General case' 0 C--N 1.363 1.183 0 CA-C-O 123.47 1.605 . . . . 0.0 108.442 173.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.57 -27.44 25.52 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 128.417 2.687 . . . . 0.0 111.435 -169.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.26 -14.03 34.14 Favored 'General case' 0 C--N 1.365 1.268 0 C-N-CA 125.483 1.513 . . . . 0.0 111.511 172.106 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.23 -36.71 14.59 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 126.949 2.1 . . . . 0.0 111.189 -179.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.56 -20.24 65.97 Favored 'General case' 0 C--N 1.366 1.294 0 C-N-CA 125.079 1.352 . . . . 0.0 114.08 -176.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.44 -16.4 34.95 Favored 'General case' 0 C--N 1.361 1.075 0 C-N-CA 126.011 1.724 . . . . 0.0 111.519 171.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -81.95 -31.46 31.24 Favored 'General case' 0 C--N 1.369 1.448 0 O-C-N 120.69 -1.257 . . . . 0.0 109.329 179.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -85.78 2.48 45.45 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 125.01 1.324 . . . . 0.0 112.074 175.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.54 -37.54 13.79 Favored 'General case' 0 C--N 1.367 1.348 0 C-N-CA 126.283 1.833 . . . . 0.0 110.762 163.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -86.44 -45.31 11.27 Favored 'General case' 0 C--N 1.376 1.732 0 C-N-CA 125.064 1.346 . . . . 0.0 111.357 -174.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -64.86 -10.3 27.41 Favored 'General case' 0 C--N 1.371 1.53 0 C-N-CA 130.416 3.486 . . . . 0.0 112.728 177.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.66 -30.79 59.53 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 126.515 1.926 . . . . 0.0 112.369 178.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.7 t -91.14 -21.62 21.08 Favored 'General case' 0 C--N 1.362 1.119 0 C-N-CA 125.596 1.558 . . . . 0.0 112.974 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -69.01 -22.53 64.07 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 126.336 1.855 . . . . 0.0 114.608 -168.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -83.17 -22.14 33.33 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 127.254 2.221 . . . . 0.0 112.401 172.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.52 -39.94 12.28 Favored 'General case' 0 C--N 1.364 1.236 0 O-C-N 119.569 -1.957 . . . . 0.0 110.938 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -75.22 -1.94 25.67 Favored 'General case' 0 C--N 1.369 1.446 0 C-N-CA 126.603 1.961 . . . . 0.0 113.966 175.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.85 -33.61 24.81 Favored 'General case' 0 C--N 1.363 1.175 0 C-N-CA 127.552 2.341 . . . . 0.0 110.817 177.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.54 -16.86 50.4 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 125.44 1.496 . . . . 0.0 111.295 -177.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.08 -17.44 52.65 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 127.496 2.318 . . . . 0.0 111.702 170.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -81.46 -47.84 12.64 Favored 'General case' 0 C--N 1.361 1.101 0 O-C-N 121.247 -0.908 . . . . 0.0 112.217 177.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -100.46 -6.54 25.42 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 -171.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.94 -50.29 5.79 Favored 'General case' 0 C--N 1.361 1.08 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 172.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.1 t -96.59 -12.0 8.52 Favored 'Isoleucine or valine' 0 C--N 1.365 1.241 0 C-N-CA 126.921 2.089 . . . . 0.0 110.991 -155.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -157.11 169.56 24.51 Favored 'General case' 0 N--CA 1.434 -1.24 1 N-CA-C 96.892 -5.225 . . . . 0.0 96.892 175.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 mp -152.13 59.26 0.84 Allowed 'General case' 0 CA--C 1.499 -0.989 0 N-CA-C 102.089 -3.3 . . . . 0.0 102.089 172.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.1 mttm . . . . . 0 C--O 1.264 1.827 0 CA-C-O 117.489 -1.244 . . . . 0.0 110.349 177.803 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.482 1.153 0 CA-C-O 120.795 0.331 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -171.71 155.61 4.03 Favored 'General case' 0 N--CA 1.438 -1.059 1 N-CA-C 99.839 -4.134 . . . . 0.0 99.839 165.028 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.279 35.3 t80 74.38 9.74 4.36 Favored 'General case' 0 C--N 1.365 1.27 0 C-N-CA 128.566 2.746 . . . . 0.0 114.048 171.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -97.73 137.37 36.71 Favored 'General case' 0 CA--C 1.496 -1.129 0 O-C-N 118.811 -2.431 . . . . 0.0 107.322 -170.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -113.23 -1.27 14.36 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 125.009 1.324 . . . . 0.0 107.892 -170.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.09 -57.13 2.91 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 126.988 2.115 . . . . 0.0 111.869 178.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.5 tttt -100.75 152.8 20.06 Favored 'General case' 0 C--N 1.361 1.104 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -161.01 -174.93 4.62 Favored 'General case' 0 CA--C 1.487 -1.46 0 N-CA-C 100.538 -3.875 . . . . 0.0 100.538 -170.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.8 -48.47 7.81 Favored 'General case' 0 C--N 1.359 1.017 0 C-N-CA 125.295 1.438 . . . . 0.0 112.316 -162.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.7 m 173.16 -161.15 0.02 OUTLIER 'General case' 0 CA--C 1.488 -1.412 1 N-CA-C 99.455 -4.276 . . . . 0.0 99.455 -172.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -64.02 -20.83 66.2 Favored 'General case' 0 C--N 1.372 1.558 0 C-N-CA 128.283 2.633 . . . . 0.0 113.796 -179.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -76.53 -17.23 59.36 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 128.264 2.625 . . . . 0.0 111.454 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.18 -16.74 15.63 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 124.841 1.256 . . . . 0.0 108.687 174.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.83 -33.42 19.85 Favored 'General case' 0 C--N 1.369 1.442 0 C-N-CA 126.319 1.847 . . . . 0.0 110.982 179.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -71.57 -41.01 69.57 Favored 'General case' 0 C--N 1.366 1.292 0 C-N-CA 128.121 2.568 . . . . 0.0 110.407 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.29 -15.01 60.98 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 128.404 2.682 . . . . 0.0 111.966 -179.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.53 -20.72 22.34 Favored 'General case' 0 C--N 1.365 1.281 0 C-N-CA 125.724 1.61 . . . . 0.0 112.42 175.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -88.85 -33.34 17.4 Favored 'General case' 0 C--N 1.368 1.401 0 O-C-N 120.772 -1.205 . . . . 0.0 111.368 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -85.6 2.3 45.63 Favored 'General case' 0 C--N 1.362 1.148 0 C-N-CA 124.333 1.053 . . . . 0.0 111.468 175.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.62 -37.75 13.59 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 126.829 2.052 . . . . 0.0 111.062 173.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -89.96 -21.29 22.51 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 124.25 1.02 . . . . 0.0 111.79 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -61.4 -36.31 79.93 Favored 'General case' 0 C--N 1.366 1.302 0 C-N-CA 125.14 1.376 . . . . 0.0 113.949 176.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.62 -18.82 62.19 Favored 'General case' 0 C--N 1.369 1.421 0 C-N-CA 125.819 1.648 . . . . 0.0 115.002 178.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.4 m -90.99 -17.8 25.69 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 125.451 1.501 . . . . 0.0 111.113 170.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.407 ' HA ' ' HG3' ' A' ' 28' ' ' GLU . 6.5 tmtt? -89.52 -32.08 17.34 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 126.707 2.003 . . . . 0.0 110.242 -173.214 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -85.83 -9.53 56.87 Favored 'General case' 0 C--N 1.365 1.278 0 O-C-N 120.812 -1.18 . . . . 0.0 111.591 170.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.23 -9.7 47.08 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 124.871 1.268 . . . . 0.0 111.384 177.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.407 ' HG3' ' HA ' ' A' ' 25' ' ' LYS . 43.9 mt-10 -55.54 -46.88 77.05 Favored 'General case' 0 C--N 1.375 1.684 0 C-N-CA 129.15 2.98 . . . . 0.0 115.904 -172.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -87.99 -11.65 46.77 Favored 'General case' 0 C--N 1.361 1.104 0 C-N-CA 126.819 2.047 . . . . 0.0 112.571 -173.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.57 -35.85 20.8 Favored 'General case' 0 C--N 1.361 1.083 0 C-N-CA 128.382 2.673 . . . . 0.0 108.422 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.61 34.53 0.71 Allowed 'General case' 0 C--N 1.366 1.326 0 C-N-CA 125.596 1.559 . . . . 0.0 112.675 172.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -132.66 -70.71 0.54 Allowed 'General case' 0 N--CA 1.439 -1.005 0 N-CA-C 102.874 -3.01 . . . . 0.0 102.874 162.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -66.56 -29.08 69.08 Favored 'General case' 0 C--N 1.362 1.133 0 N-CA-C 118.151 2.649 . . . . 0.0 118.151 -169.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.91 -24.11 19.4 Favored 'General case' 0 C--N 1.361 1.103 0 O-C-N 120.787 -1.196 . . . . 0.0 112.546 176.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.3 t -101.08 -23.33 4.41 Favored 'Isoleucine or valine' 0 C--N 1.358 0.971 0 O-C-N 121.206 -0.934 . . . . 0.0 109.161 -164.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -160.29 -156.51 0.49 Allowed 'General case' 0 CA--C 1.493 -1.235 0 N-CA-C 100.231 -3.988 . . . . 0.0 100.231 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -172.31 49.75 0.02 OUTLIER 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 101.029 -3.693 . . . . 0.0 101.029 169.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? . . . . . 0 C--O 1.255 1.358 0 O-C-N 120.961 -1.087 . . . . 0.0 109.049 -174.898 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 . . . . . 0 CA--C 1.492 -1.259 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.77 43.6 1.06 Allowed 'General case' 0 C--N 1.358 0.971 0 O-C-N 120.614 -1.304 . . . . 0.0 110.367 176.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -125.83 -127.07 0.24 Allowed 'General case' 0 CA--C 1.5 -0.97 0 N-CA-C 105.508 -2.034 . . . . 0.0 105.508 -173.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -89.42 -21.76 22.87 Favored 'General case' 0 C--N 1.365 1.264 0 C-N-CA 124.553 1.141 . . . . 0.0 109.413 177.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . 0.294 6.6 mtmt 89.6 -101.47 0.01 OUTLIER 'General case' 0 C--N 1.362 1.124 0 C-N-CA 126.764 2.026 . . . . 0.0 109.374 170.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.67 167.65 12.04 Favored 'General case' 0 C--N 1.36 1.027 0 C-N-CA 125.075 1.35 . . . . 0.0 109.133 172.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -99.69 106.27 18.18 Favored 'General case' 0 C--N 1.357 0.895 0 N-CA-C 105.853 -1.906 . . . . 0.0 105.853 176.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -78.24 94.79 4.84 Favored 'General case' 0 C--N 1.367 1.344 0 C-N-CA 127.03 2.132 . . . . 0.0 107.949 178.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.11 -40.44 7.59 Favored 'General case' 0 CA--C 1.495 -1.157 0 C-N-CA 126.17 1.788 . . . . 0.0 109.218 -160.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 65.1 m -172.19 -171.99 0.9 Allowed 'General case' 0 CA--C 1.481 -1.705 0 N-CA-C 102.173 -3.269 . . . . 0.0 102.173 177.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -65.97 -22.67 66.49 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 127.989 2.515 . . . . 0.0 113.486 -165.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -62.77 -30.62 71.59 Favored 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 127.543 2.337 . . . . 0.0 114.967 170.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -92.59 -40.77 10.59 Favored 'General case' 0 C--N 1.361 1.102 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -81.03 -21.19 40.35 Favored 'General case' 0 C--N 1.361 1.07 0 C-N-CA 125.864 1.666 . . . . 0.0 113.164 -174.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -82.36 -40.11 21.82 Favored 'General case' 0 C--N 1.365 1.259 0 C-N-CA 126.751 2.021 . . . . 0.0 112.458 170.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.4 -34.84 73.01 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 123.894 0.878 . . . . 0.0 112.831 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.6 -14.76 61.69 Favored 'General case' 0 C--N 1.363 1.192 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 173.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -79.93 -28.6 39.69 Favored 'General case' 0 C--N 1.363 1.166 0 C-N-CA 127.104 2.162 . . . . 0.0 112.095 -174.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -75.61 -7.98 55.64 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 128.535 2.734 . . . . 0.0 112.948 -172.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.77 -36.44 14.27 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 126.604 1.962 . . . . 0.0 112.047 178.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.58 -43.62 10.08 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 125.553 1.541 . . . . 0.0 110.635 176.286 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -71.91 -0.74 12.14 Favored 'General case' 0 C--N 1.372 1.575 0 C-N-CA 125.372 1.469 . . . . 0.0 113.547 -174.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.08 -26.62 25.2 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 127.866 2.466 . . . . 0.0 110.541 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.12 -13.53 38.29 Favored 'General case' 0 C--N 1.363 1.174 0 C-N-CA 125.363 1.465 . . . . 0.0 112.509 173.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.2 mttp -86.29 -16.18 38.33 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 127.753 2.421 . . . . 0.0 113.486 -175.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -82.89 -15.84 49.88 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 124.847 1.259 . . . . 0.0 111.981 168.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.04 -26.42 20.31 Favored 'General case' 0 C--N 1.359 1.013 0 O-C-N 120.164 -1.585 . . . . 0.0 110.746 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -57.1 -39.86 75.89 Favored 'General case' 0 C--N 1.374 1.656 0 C-N-CA 128.802 2.841 . . . . 0.0 113.285 172.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.48 ' HA ' ' HD3' ' A' ' 32' ' ' LYS 0.266 1.4 mt-10 -90.85 -12.06 37.41 Favored 'General case' 0 C--N 1.364 1.214 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 178.536 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.94 -20.56 56.01 Favored 'General case' 0 C--N 1.369 1.434 0 O-C-N 118.527 -2.608 . . . . 0.0 112.365 175.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.8 28.52 1.14 Allowed 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 125.199 1.4 . . . . 0.0 113.933 169.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.48 ' HD3' ' HA ' ' A' ' 29' ' ' GLU . 2.5 mptm? -102.45 -67.98 0.85 Allowed 'General case' 0 C--N 1.369 1.453 0 C-N-CA 125.144 1.378 . . . . 0.0 110.624 167.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.6 mp0 -88.94 -29.28 19.69 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 124.438 1.095 . . . . 0.0 110.972 -169.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.85 -45.86 8.17 Favored 'General case' 0 C--N 1.36 1.032 0 C-N-CA 124.331 1.052 . . . . 0.0 112.354 171.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.327 36.9 t 89.63 -12.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.367 1.366 0 C-N-CA 126.232 1.813 . . . . 0.0 110.901 174.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -160.65 -70.24 0.07 Allowed 'General case' 0 CA--C 1.49 -1.348 0 N-CA-C 104.132 -2.544 . . . . 0.0 104.132 -167.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 97.37 38.58 0.0 OUTLIER 'General case' 0 N--CA 1.439 -1.016 0 C-N-CA 131.19 3.796 . . . . 0.0 108.653 -176.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 70.1 tttt . . . . . 0 C--O 1.268 2.067 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 173.086 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 . . . . . 0 N--CA 1.478 0.957 0 N-CA-C 101.335 -3.579 . . . . 0.0 101.335 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -177.47 -165.94 0.12 Allowed 'General case' 0 N--CA 1.431 -1.378 1 N-CA-C 99.416 -4.29 . . . . 0.0 99.416 -177.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -144.58 -172.97 3.92 Favored 'General case' 0 N--CA 1.433 -1.288 1 N-CA-C 98.199 -4.741 . . . . 0.0 98.199 -174.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -140.11 -70.92 0.38 Allowed 'General case' 0 CA--C 1.496 -1.126 0 N-CA-C 105.922 -1.881 . . . . 0.0 105.922 165.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -162.33 100.54 1.07 Allowed 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 105.668 -1.975 . . . . 0.0 105.668 -170.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.28 108.04 19.4 Favored 'General case' 0 C--N 1.358 0.964 0 C-N-CA 124.496 1.119 . . . . 0.0 108.909 174.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.488 ' H ' ' HD3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -100.57 127.13 47.04 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 126.701 2.001 . . . . 0.0 108.405 -178.199 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -157.26 154.17 28.69 Favored 'General case' 0 N--CA 1.438 -1.058 1 N-CA-C 99.57 -4.233 . . . . 0.0 99.57 -175.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.59 88.51 3.44 Favored 'General case' 0 C--N 1.35 0.595 0 C-N-CA 125.183 1.393 . . . . 0.0 107.314 170.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.7 m -173.47 -173.88 0.94 Allowed 'General case' 0 CA--C 1.498 -1.051 0 N-CA-C 101.97 -3.344 . . . . 0.0 101.97 -175.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -61.26 -20.23 62.62 Favored 'General case' 0 C--N 1.367 1.358 0 C-N-CA 129.629 3.171 . . . . 0.0 114.956 -178.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -64.35 -28.15 69.5 Favored 'General case' 0 C--N 1.359 1.017 0 C-N-CA 128.535 2.734 . . . . 0.0 114.133 166.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -100.14 -27.39 13.56 Favored 'General case' 0 CA--C 1.492 -1.267 0 O-C-N 120.767 -1.208 . . . . 0.0 109.735 -175.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -75.73 -32.52 60.05 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 128.143 2.577 . . . . 0.0 111.183 177.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.62 -35.82 33.5 Favored 'General case' 0 C--N 1.368 1.401 0 C-N-CA 125.922 1.689 . . . . 0.0 111.442 171.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.52 -28.6 56.44 Favored 'General case' 0 C--N 1.37 1.461 0 C-N-CA 124.408 1.083 . . . . 0.0 112.861 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.49 -21.17 63.7 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 126.944 2.098 . . . . 0.0 114.13 167.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.9 tttt -89.83 -17.47 28.04 Favored 'General case' 0 C--N 1.36 1.023 0 C-N-CA 126.005 1.722 . . . . 0.0 110.431 -171.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -81.63 -10.35 59.44 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 126.835 2.054 . . . . 0.0 111.509 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.19 -27.81 21.59 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 126.026 1.731 . . . . 0.0 112.288 -173.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -90.96 -35.15 14.86 Favored 'General case' 0 CA--C 1.498 -1.046 0 C-N-CA 127.255 2.222 . . . . 0.0 111.003 175.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 -87.05 -17.62 32.49 Favored 'General case' 0 CA--C 1.485 -1.52 0 C-N-CA 125.594 1.558 . . . . 0.0 109.624 -166.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.93 -37.26 76.28 Favored 'General case' 0 C--N 1.368 1.407 0 C-N-CA 127.014 2.126 . . . . 0.0 115.165 175.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.0 t -90.86 -6.18 54.56 Favored 'General case' 0 C--N 1.368 1.394 0 O-C-N 121.248 -0.908 . . . . 0.0 113.273 168.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -92.99 0.2 57.35 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 126.091 1.756 . . . . 0.0 113.143 172.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -82.98 -6.64 59.56 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 119.798 -1.814 . . . . 0.0 112.471 -163.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.06 -24.64 19.97 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 124.544 1.138 . . . . 0.0 112.957 157.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -91.01 -22.33 20.84 Favored 'General case' 0 C--N 1.357 0.923 0 C-N-CA 127.701 2.401 . . . . 0.0 112.82 -164.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -72.37 -25.23 61.44 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 127.564 2.345 . . . . 0.0 110.379 168.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.06 -35.76 18.54 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 126.57 1.948 . . . . 0.0 110.817 -176.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.66 32.6 0.87 Allowed 'General case' 0 C--N 1.368 1.387 0 CA-C-O 122.758 1.266 . . . . 0.0 111.357 170.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.49 -83.17 0.65 Allowed 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 126.813 2.045 . . . . 0.0 108.051 177.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -95.6 -9.55 31.89 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 120.673 -1.267 . . . . 0.0 113.2 -159.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.15 -3.65 56.85 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 125.449 1.5 . . . . 0.0 111.773 170.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.0 t -120.09 -65.28 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.011 0 C-N-CA 124.165 0.986 . . . . 0.0 109.169 -170.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -112.18 -35.72 5.55 Favored 'General case' 0 C--N 1.358 0.935 0 C-N-CA 123.138 0.575 . . . . 0.0 110.697 -161.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 76.06 21.82 1.48 Allowed 'General case' 0 C--N 1.368 1.394 0 C-N-CA 126.305 1.842 . . . . 0.0 113.636 168.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt . . . . . 0 C--O 1.266 1.922 0 N-CA-C 103.908 -2.627 . . . . 0.0 103.908 -175.205 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.5 -0.949 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 79.73 6.98 1.82 Allowed 'General case' 0 C--N 1.371 1.535 0 C-N-CA 125.87 1.668 . . . . 0.0 113.517 175.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -164.7 165.85 20.48 Favored 'General case' 0 CA--C 1.489 -1.387 1 N-CA-C 99.965 -4.087 . . . . 0.0 99.965 -171.82 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.37 89.08 2.13 Favored 'General case' 0 CA--C 1.502 -0.872 0 N-CA-C 101.972 -3.344 . . . . 0.0 101.972 177.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -155.4 172.74 17.71 Favored 'General case' 0 CA--C 1.496 -1.098 1 N-CA-C 100.187 -4.005 . . . . 0.0 100.187 -177.18 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.12 -46.53 8.4 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 126.207 1.803 . . . . 0.0 110.717 178.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -99.05 171.72 7.85 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 127.795 2.438 . . . . 0.0 107.471 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -106.26 -15.22 14.9 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 124.807 1.243 . . . . 0.0 110.439 -171.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.92 -161.85 0.89 Allowed 'General case' 0 C--N 1.36 1.039 0 C-N-CA 125.627 1.571 . . . . 0.0 109.559 175.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.4 m -134.16 32.66 3.42 Favored 'General case' 0 C--N 1.357 0.896 0 O-C-N 121.592 -0.692 . . . . 0.0 111.28 -171.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -82.11 -28.93 31.98 Favored 'General case' 0 C--N 1.361 1.104 0 CA-C-O 125.278 2.466 . . . . 0.0 110.039 175.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -92.61 -16.74 25.27 Favored 'General case' 0 N--CA 1.444 -0.757 1 C-N-CA 132.052 4.141 . . . . 0.0 106.918 -167.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.89 -31.55 19.42 Favored 'General case' 0 C--N 1.363 1.18 0 C-N-CA 127.355 2.262 . . . . 0.0 110.398 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.24 -42.01 16.32 Favored 'General case' 0 C--N 1.36 1.06 0 C-N-CA 127.543 2.337 . . . . 0.0 109.243 -179.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -88.33 -1.29 57.94 Favored 'General case' 0 C--N 1.363 1.169 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 -170.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.6 -11.42 40.03 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 126.541 1.936 . . . . 0.0 113.427 173.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.54 -29.35 17.93 Favored 'General case' 0 C--N 1.36 1.031 0 O-C-N 120.105 -1.622 . . . . 0.0 111.651 176.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.8 mttm -90.91 -10.53 42.2 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 128.731 2.812 . . . . 0.0 113.141 -176.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.6 ' HA ' ' HB2' ' A' ' 22' ' ' ASN 0.273 52.0 p30 -32.93 -26.26 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.831 1 C-N-CA 133.381 4.672 . . . . 0.0 121.669 -178.114 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.16 -33.48 24.23 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 126.225 1.81 . . . . 0.0 110.832 175.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -89.6 -14.12 35.69 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 125.917 1.687 . . . . 0.0 109.575 175.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.6 ' HB2' ' HA ' ' A' ' 19' ' ' ASP . 16.4 t30 -64.21 -18.38 64.46 Favored 'General case' 0 C--N 1.376 1.737 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 -176.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.47 -36.48 79.03 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 116.945 2.202 . . . . 0.0 116.945 173.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . 0.282 0.4 OUTLIER -90.92 -29.38 17.49 Favored 'General case' 0 C--N 1.368 1.384 0 O-C-N 120.996 -1.065 . . . . 0.0 113.333 174.298 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -50.9 -25.31 4.42 Favored 'General case' 0 C--N 1.368 1.405 0 C-N-CA 129.291 3.037 . . . . 0.0 118.717 173.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -70.82 -11.31 60.88 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 129.413 3.085 . . . . 0.0 114.059 -168.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.43 -45.8 8.75 Favored 'General case' 0 C--N 1.36 1.038 0 C-N-CA 127.218 2.207 . . . . 0.0 111.449 168.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -65.52 -18.68 65.5 Favored 'General case' 0 C--N 1.379 1.883 0 C-N-CA 131.191 3.796 . . . . 0.0 112.828 -178.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.97 -61.1 2.79 Favored 'General case' 0 C--N 1.374 1.647 0 C-N-CA 127.119 2.168 . . . . 0.0 113.868 170.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.35 -38.22 30.93 Favored 'General case' 0 C--N 1.36 1.053 0 C-N-CA 127.589 2.356 . . . . 0.0 110.712 175.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.7 14.96 1.89 Allowed 'General case' 0 C--N 1.364 1.219 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 -179.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.414 ' NZ ' ' OE2' ' A' ' 33' ' ' GLU . 1.8 pptp? -121.09 7.39 10.3 Favored 'General case' 0 C--N 1.368 1.406 0 C-N-CA 124.837 1.255 . . . . 0.0 111.276 157.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.414 ' OE2' ' NZ ' ' A' ' 32' ' ' LYS 0.296 15.8 mt-10 -100.22 -42.88 6.5 Favored 'General case' 0 C--N 1.366 1.317 0 O-C-N 120.269 -1.519 . . . . 0.0 112.671 171.757 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.71 -31.26 15.88 Favored 'General case' 0 C--N 1.359 1.0 0 N-CA-C 115.512 1.671 . . . . 0.0 115.512 177.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.8 t -102.8 -15.6 7.84 Favored 'Isoleucine or valine' 0 C--N 1.349 0.554 0 C-N-CA 124.036 0.935 . . . . 0.0 109.936 -163.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -162.42 -168.21 1.79 Allowed 'General case' 0 CA--C 1.488 -1.417 0 N-CA-C 103.436 -2.802 . . . . 0.0 103.436 172.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -168.9 48.77 0.04 OUTLIER 'General case' 0 N--CA 1.439 -0.98 0 N-CA-C 105.654 -1.98 . . . . 0.0 105.654 -177.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.564 1.492 0 C-N-CA 125.896 1.678 . . . . 0.0 110.161 171.538 . . . . . . . . 1 1 . 1 stop_ save_