data_2od1_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 2od1 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.579 0.228 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.595 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 19.2 t -70.58 129.21 38.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 110.841 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.452 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 13.0 m0 -55.67 -19.36 10.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.726 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -111.39 -62.83 1.49 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.905 0.383 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.595 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 69.6 m -52.58 -42.78 64.81 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -178.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.74 -0.89 87.65 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.2 -1.0 . . . . 0.0 112.534 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.18 -67.63 0.84 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.83 0.348 . . . . 0.0 111.151 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -159.99 147.89 16.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.233 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -132.89 148.55 52.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.003 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 31.8 m -126.28 -30.65 2.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.603 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -86.65 150.19 24.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.027 0.441 . . . . 0.0 111.168 -179.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 87.8 m -129.82 140.16 51.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.052 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 40.2 t -49.92 122.03 6.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.087 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.07 -15.72 58.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.0 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.68 -32.47 18.59 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.771 -0.728 . . . . 0.0 113.252 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 30.9 p -126.04 -7.41 6.59 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 117.401 0.601 . . . . 0.0 112.057 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 56.03 25.62 9.06 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.727 0.299 . . . . 0.0 111.343 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 55.7 m -118.5 -63.11 1.45 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.826 0.346 . . . . 0.0 111.257 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.452 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -50.33 143.14 9.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.318 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.39 142.64 50.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.8 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . 0.42 ' CD2' ' HG2' ' A' ' 688' ' ' GLN . 92.3 m-85 -149.45 170.04 19.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.937 0.399 . . . . 0.0 110.791 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 25.3 p -99.86 -15.67 18.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.601 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -159.08 175.59 36.01 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.304 -0.95 . . . . 0.0 113.093 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.1 -39.74 82.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.73 0.3 . . . . 0.0 111.154 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -60.9 -46.34 91.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.867 0.365 . . . . 0.0 110.589 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.9 m -57.73 -36.57 72.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.747 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . 0.42 ' HG2' ' CD2' ' A' ' 682' ' ' TYR . 34.5 mt-30 -68.01 -36.52 80.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.433 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 41.9 m170 -71.75 -40.11 69.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.016 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -63.34 -44.16 95.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.566 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.32 -16.75 36.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.088 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.425 ' CZ3' ' HB3' ' A' ' 696' ' ' HIS . 2.9 t-105 -52.71 -44.95 66.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.552 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.495 ' O ' ' CD2' ' A' ' 696' ' ' HIS . 2.4 tp10 -56.14 -47.25 78.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.066 0.46 . . . . 0.0 110.476 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.09 -35.93 72.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.383 178.163 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -59.55 -31.8 69.75 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.288 0.848 . . . . 0.0 113.288 -178.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 693' ' ' GLU . 0.5 OUTLIER -67.77 -9.48 44.44 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.74 -179.189 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 45.0 m-70 -74.55 -30.18 61.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.872 0.367 . . . . 0.0 110.58 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.1 pp -123.46 -0.7 6.33 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.03 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 7.8 t . . . . . 0 C--N 1.331 -0.222 0 CA-C-O 120.892 0.377 . . . . 0.0 110.864 -179.909 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.668 0.271 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.608 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 16.3 t -63.54 129.05 38.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.903 0.383 . . . . 0.0 110.752 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.443 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 13.2 m0 -56.64 -18.44 12.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.748 -179.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -111.08 -62.46 1.54 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.859 0.361 . . . . 0.0 110.759 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.608 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 68.8 m -52.96 -44.69 67.31 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -178.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 86.59 -1.53 87.19 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.306 -0.949 . . . . 0.0 112.686 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -98.05 -75.29 0.55 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.93 0.395 . . . . 0.0 111.093 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.98 148.12 28.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.367 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -130.34 146.32 51.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.948 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -123.75 -33.74 3.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.438 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -86.87 151.71 23.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.97 0.414 . . . . 0.0 111.159 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 21.5 m -131.89 140.22 49.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.967 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 37.7 t -48.68 121.51 4.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.177 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 1.9 p -78.14 -15.38 58.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.064 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.4 -32.43 19.58 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.258 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 31.6 p -125.74 -7.21 6.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 117.319 0.559 . . . . 0.0 112.029 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 56.15 25.59 9.25 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.769 0.319 . . . . 0.0 111.38 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 3.2 m -118.62 -62.96 1.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.286 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.443 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -50.76 148.58 3.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.327 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -134.41 144.21 48.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -149.53 166.05 30.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.73 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 26.6 p -95.52 -15.38 22.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.391 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.23 177.23 36.77 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.827 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 1.4 m -68.12 -39.94 82.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.742 0.306 . . . . 0.0 111.177 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -60.96 -46.45 90.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.901 0.382 . . . . 0.0 110.716 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -58.28 -37.4 74.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -67.86 -35.41 78.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.325 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -71.88 -39.08 69.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.941 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -64.15 -44.72 91.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.514 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.08 -17.45 37.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.006 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.418 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.7 t-105 -52.83 -45.83 67.48 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.683 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.404 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 0.0 OUTLIER -56.04 -47.49 77.76 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.636 -179.713 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -71.21 -36.07 71.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.084 0.469 . . . . 0.0 110.546 178.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -59.01 -31.27 68.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.495 -178.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.404 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -63.49 -11.2 21.95 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -179.493 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 -74.5 -27.85 60.73 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.656 0.265 . . . . 0.0 111.104 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.8 pp -126.05 0.4 4.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -179.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.331 -0.232 0 CA-C-O 120.848 0.356 . . . . 0.0 110.951 -179.907 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.718 0.294 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.623 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 20.0 t -71.84 129.18 37.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.891 0.377 . . . . 0.0 110.892 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.441 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.1 m0 -55.95 -19.1 10.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.735 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -110.93 -62.38 1.55 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.954 0.407 . . . . 0.0 110.913 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.623 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 67.2 m -52.24 -43.73 64.47 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -178.184 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.56 -0.36 89.31 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.281 -0.961 . . . . 0.0 112.651 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -98.99 -71.58 0.69 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.868 0.366 . . . . 0.0 111.084 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.19 146.85 23.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.367 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -134.69 150.5 50.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.036 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 30.1 p -127.19 -29.24 2.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.572 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -86.83 150.04 24.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.098 0.475 . . . . 0.0 111.144 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 26.4 m -131.94 140.27 48.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.974 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 43.4 t -48.77 121.34 4.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.159 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.48 -15.4 58.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.048 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.41 -31.94 20.83 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.688 -0.768 . . . . 0.0 113.194 -179.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 27.3 p -126.39 -7.16 6.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 117.332 0.566 . . . . 0.0 112.022 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 56.27 25.87 9.81 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.726 0.298 . . . . 0.0 111.445 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 59.8 m -118.92 -62.59 1.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.777 0.322 . . . . 0.0 111.312 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.441 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -50.92 149.37 3.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.33 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 2.4 mmt85 -134.4 142.18 47.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.87 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -149.52 165.6 31.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.963 0.411 . . . . 0.0 110.695 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 27.4 p -96.61 -15.83 21.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.484 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.59 177.67 36.91 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.879 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 2.8 m -68.16 -40.24 82.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.686 0.279 . . . . 0.0 111.167 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -60.9 -46.44 90.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.847 0.356 . . . . 0.0 110.699 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.68 -39.47 84.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -69.15 -34.23 74.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.246 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 52.5 m170 -71.83 -38.82 70.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.879 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm -65.83 -40.88 92.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.639 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -88.26 -18.44 28.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.011 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.408 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.76 -45.18 66.95 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.564 -179.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.485 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 1.3 tp10 -56.19 -47.43 78.36 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.512 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -70.96 -35.97 72.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.076 0.465 . . . . 0.0 110.175 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -59.35 -31.38 69.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.509 -178.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.485 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 0.7 OUTLIER -65.7 -10.72 39.02 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -179.32 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -74.53 -30.21 61.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.818 0.342 . . . . 0.0 110.731 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.3 pt -122.12 -0.69 7.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.978 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 6.8 t . . . . . 0 C--N 1.331 -0.238 0 CA-C-O 120.842 0.353 . . . . 0.0 111.095 -179.718 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.593 0.235 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.626 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 23.6 t -67.59 129.13 38.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.884 0.373 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.444 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 13.9 m0 -55.49 -19.7 10.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.789 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -110.56 -62.01 1.59 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.881 0.372 . . . . 0.0 110.927 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.626 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 66.7 m -52.65 -42.09 64.38 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -178.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.44 -0.73 88.83 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.235 -0.983 . . . . 0.0 112.619 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -103.02 -70.03 0.77 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.845 0.355 . . . . 0.0 111.198 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.4 143.16 24.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.296 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -101.9 -151.32 0.42 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.843 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 9.6 t 172.45 -57.5 0.01 OUTLIER 'General case' 0 N--CA 1.461 0.11 0 CA-C-O 120.835 0.35 . . . . 0.0 110.844 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -86.89 155.95 20.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.927 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 26.8 m -131.5 140.22 49.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.085 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 18.5 t -48.88 121.18 4.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.193 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 10.5 t -77.86 -15.71 58.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.059 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.62 -30.89 22.99 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.715 -0.755 . . . . 0.0 113.224 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 31.7 p -126.65 -8.08 6.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 117.219 0.51 . . . . 0.0 112.02 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 55.86 25.92 9.1 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.66 0.267 . . . . 0.0 111.389 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 10.8 m -119.25 -62.85 1.46 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.844 0.354 . . . . 0.0 111.415 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.444 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -48.76 138.63 10.79 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.488 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -124.66 143.09 50.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.001 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . 0.425 ' CE1' ' HB2' ' A' ' 691' ' ' ASP . 95.3 m-85 -149.46 170.06 19.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.779 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 17.0 p -98.25 -15.94 19.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.352 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -162.92 179.31 38.25 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.43 -0.891 . . . . 0.0 112.807 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 1.1 m -68.23 -41.05 81.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.626 0.25 . . . . 0.0 111.391 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -60.97 -46.52 90.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.849 0.357 . . . . 0.0 110.778 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.53 -37.67 79.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.835 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . 0.411 ' HG3' ' CE2' ' A' ' 682' ' ' TYR . 8.9 tt0 -69.93 -34.58 73.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.445 179.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.68 -40.05 69.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -63.73 -44.28 94.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.7 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . 0.425 ' HB2' ' CE1' ' A' ' 682' ' ' TYR . 1.2 m-20 -85.75 -16.99 37.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.085 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.408 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 3.0 t-105 -52.89 -44.75 67.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.729 -179.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.419 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 1.1 tt0 -57.7 -47.84 81.24 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.984 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -71.53 -35.99 70.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.053 0.454 . . . . 0.0 110.499 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 22.2 t60 -59.17 -31.17 68.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.343 -178.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.419 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -62.52 -10.94 13.53 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -179.486 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -74.28 -25.84 59.84 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.646 0.26 . . . . 0.0 111.116 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.7 pp -122.68 -0.11 6.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.331 -0.214 0 CA-C-O 120.818 0.342 . . . . 0.0 110.916 -179.883 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.631 0.253 . . . . 0.0 110.81 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.612 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 18.9 t -69.72 129.11 38.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.441 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.4 m0 -55.82 -18.9 9.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.789 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -111.36 -62.51 1.54 Allowed 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.879 0.371 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.612 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 68.4 m -52.8 -42.92 65.53 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -178.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.58 -0.23 88.31 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.239 -0.981 . . . . 0.0 112.604 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.43 -70.73 0.71 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.892 0.377 . . . . 0.0 111.107 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -156.89 147.23 21.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.212 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -132.84 148.88 52.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.036 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 66.2 m -126.24 -30.88 2.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.561 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -86.73 150.37 24.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.02 0.438 . . . . 0.0 111.249 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 21.3 m -132.0 140.35 48.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.885 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 45.3 t -48.6 121.43 4.54 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.196 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 16.4 m -78.33 -15.37 58.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.049 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.5 -31.76 21.03 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.833 -0.699 . . . . 0.0 113.262 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 27.9 p -126.69 -7.33 6.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 117.372 0.586 . . . . 0.0 112.029 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 4.1 m120 56.33 25.89 9.96 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.704 0.287 . . . . 0.0 111.368 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 3.0 m -118.67 -63.25 1.43 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.339 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.441 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -51.15 148.42 4.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.234 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -134.65 143.0 47.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.943 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -149.5 166.93 27.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.983 0.421 . . . . 0.0 110.686 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 27.7 p -96.78 -15.62 21.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.331 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.41 177.47 36.83 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.371 -0.918 . . . . 0.0 112.859 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.14 -40.47 82.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.726 0.298 . . . . 0.0 111.285 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 38.0 p90 -60.85 -46.45 90.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.725 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.86 -37.5 76.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.809 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -72.21 -31.81 66.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.476 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -71.91 -41.39 67.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -34.38 77.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.828 0.346 . . . . 0.0 110.77 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.48 -20.48 21.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.906 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.408 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.79 -44.61 66.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.611 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.48 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 2.7 mm-40 -56.47 -47.46 79.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.009 0.433 . . . . 0.0 110.472 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt -70.89 -36.09 72.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.107 0.479 . . . . 0.0 110.248 178.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -59.42 -31.37 69.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.526 -178.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.48 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 0.7 OUTLIER -65.54 -10.24 33.24 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.405 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -74.53 -30.12 61.65 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.797 0.332 . . . . 0.0 110.857 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.2 pp -122.13 -0.59 7.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.277 -0.42 . . . . 0.0 112.085 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.6 t . . . . . 0 C--N 1.331 -0.197 0 CA-C-O 120.821 0.343 . . . . 0.0 111.069 -179.744 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 19.0 m . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.668 0.27 . . . . 0.0 110.779 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.622 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 23.4 t -68.82 129.17 39.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.843 0.354 . . . . 0.0 110.92 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.444 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.6 m0 -55.01 -19.62 7.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.835 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -111.32 -61.71 1.66 Allowed 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.835 0.35 . . . . 0.0 111.061 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.622 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 67.0 m -52.73 -42.67 65.1 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -178.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.12 -0.68 88.44 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.209 -0.996 . . . . 0.0 112.6 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 3.6 ttm-85 -102.29 -69.14 0.8 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.859 0.361 . . . . 0.0 111.077 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -152.13 143.17 23.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.235 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -101.98 -151.59 0.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.1 m 172.42 -57.26 0.01 OUTLIER 'General case' 0 C--N 1.334 -0.071 0 CA-C-O 120.834 0.349 . . . . 0.0 110.841 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -86.96 154.71 20.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.97 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 59.9 m -131.42 140.22 49.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.976 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 48.6 t -49.11 120.88 4.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 65.9 p -78.23 -15.21 59.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.13 -31.74 22.18 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.767 -0.73 . . . . 0.0 113.243 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.5 p -126.54 -7.51 6.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 117.321 0.561 . . . . 0.0 111.973 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 3.1 m120 55.9 26.3 9.6 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.686 0.279 . . . . 0.0 111.484 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 21.6 m -119.13 -63.1 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.289 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.444 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -49.26 139.99 10.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.327 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -128.59 140.87 51.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.018 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -147.09 171.18 15.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.695 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 17.5 p -97.92 -15.77 20.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.365 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -162.63 179.33 37.98 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.489 -0.862 . . . . 0.0 112.862 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 10.7 t -68.22 -41.37 81.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.693 0.282 . . . . 0.0 111.343 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -60.85 -46.53 90.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.761 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.7 -38.42 81.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.825 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -69.77 -34.44 73.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.385 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -71.77 -39.4 69.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -41.81 95.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.577 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -87.54 -17.9 30.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.009 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.406 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.86 -45.61 67.48 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.612 -179.292 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.482 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 3.0 mt-10 -56.09 -47.43 78.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.972 0.415 . . . . 0.0 110.569 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -70.81 -35.85 72.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.195 0.522 . . . . 0.0 110.156 178.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -59.31 -31.31 69.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.534 -178.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.482 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 0.7 OUTLIER -65.34 -10.4 32.59 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -179.374 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 44.3 m-70 -74.36 -29.49 61.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.778 0.323 . . . . 0.0 110.694 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.1 pt -120.17 -0.35 7.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.948 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.33 -0.245 0 CA-C-O 120.907 0.384 . . . . 0.0 111.048 -179.793 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 9.3 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.608 0.242 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.616 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 21.4 t -71.44 128.95 37.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.883 0.373 . . . . 0.0 110.778 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.442 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.0 m0 -55.64 -19.33 10.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.795 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -110.71 -62.19 1.57 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.852 0.358 . . . . 0.0 110.95 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.616 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 67.4 m -52.98 -42.89 65.98 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -178.018 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.13 -0.9 88.22 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.252 -0.975 . . . . 0.0 112.483 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 4.7 ttm-85 -98.77 -68.59 0.8 Allowed 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.781 0.324 . . . . 0.0 111.151 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.25 147.85 19.66 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.297 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -134.35 149.92 50.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.89 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 4.6 p -126.76 -31.27 2.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.657 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -86.81 149.67 24.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.013 0.435 . . . . 0.0 111.268 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 7.0 m -131.93 140.38 49.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.016 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 27.1 t -48.42 121.5 4.51 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.142 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.18 -15.46 58.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.069 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.38 -31.26 22.69 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 120.722 -0.751 . . . . 0.0 113.185 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 31.2 p -126.16 -7.67 6.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 117.216 0.508 . . . . 0.0 111.927 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 55.68 25.32 8.05 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.744 0.307 . . . . 0.0 111.358 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 1.5 m -118.25 -63.4 1.42 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.205 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.442 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -49.78 146.88 4.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.12 141.96 48.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.006 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -149.45 166.56 28.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.679 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 25.9 p -96.45 -15.49 21.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.546 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.49 177.76 36.79 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.925 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 40.3 t -68.19 -40.5 82.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.705 0.288 . . . . 0.0 111.153 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -60.96 -46.49 90.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.667 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.63 -39.72 85.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.742 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -69.42 -34.28 74.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.327 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -71.75 -39.89 69.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.92 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -64.13 -42.68 96.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.935 0.398 . . . . 0.0 110.599 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.97 -17.97 31.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.029 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.422 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -53.03 -46.01 68.26 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.482 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 0.1 OUTLIER -56.84 -48.07 78.9 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.89 -179.416 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.44 -36.01 71.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.188 0.518 . . . . 0.0 110.335 178.149 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -59.57 -31.36 69.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.592 -178.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.482 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 0.7 OUTLIER -64.33 -9.34 17.13 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.298 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -74.35 -26.57 60.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.679 0.275 . . . . 0.0 110.939 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.2 pp -122.12 -0.29 6.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.332 -0.189 0 CA-C-O 120.858 0.361 . . . . 0.0 110.846 179.918 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 48.3 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.562 0.22 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.614 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 20.4 t -69.21 129.16 39.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.951 0.405 . . . . 0.0 110.907 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.437 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.2 m0 -55.48 -18.86 7.95 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.817 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -111.83 -62.05 1.62 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.848 0.356 . . . . 0.0 110.972 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.614 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 68.2 m -52.92 -42.6 65.55 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -178.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.72 -0.42 88.23 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.301 -0.952 . . . . 0.0 112.578 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.29 -69.98 0.76 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.891 0.377 . . . . 0.0 111.132 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -152.29 143.37 23.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.17 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -103.91 -149.53 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 4.6 p 169.35 -53.92 0.01 OUTLIER 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.836 0.35 . . . . 0.0 110.725 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -86.93 154.91 20.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.985 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 46.8 m -131.92 140.22 48.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.988 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 43.9 t -49.0 121.21 4.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.2 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.1 -15.49 58.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 179.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.41 -31.81 21.16 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.806 -0.711 . . . . 0.0 113.305 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 26.9 p -126.55 -7.53 6.29 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 117.269 0.535 . . . . 0.0 112.009 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 6.4 m120 56.17 26.15 9.94 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.717 0.294 . . . . 0.0 111.419 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 2.2 m -119.1 -63.08 1.44 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.882 0.372 . . . . 0.0 111.404 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.437 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -49.74 143.93 6.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.337 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -131.21 143.52 50.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . 0.403 ' CE2' ' HB2' ' A' ' 680' ' ' ALA . 27.6 m-85 -149.45 168.42 23.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.742 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 18.8 p -95.7 -15.72 22.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.459 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -163.24 180.0 38.06 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.487 -0.864 . . . . 0.0 112.849 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.3 -40.42 81.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.653 0.263 . . . . 0.0 111.278 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -60.94 -46.57 90.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.822 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.13 -39.15 85.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.835 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . 0.4 ' HG3' ' CE2' ' A' ' 682' ' ' TYR . 45.6 tt0 -68.32 -35.5 77.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.383 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -71.72 -39.32 70.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.903 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -65.62 -41.25 92.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.571 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -87.29 -18.3 30.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.935 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.407 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.83 -45.44 67.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.684 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.475 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 42.3 mt-10 -56.14 -47.51 78.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.947 0.403 . . . . 0.0 110.538 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -70.84 -35.95 72.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.164 0.507 . . . . 0.0 110.132 178.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -59.28 -31.32 69.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.555 -178.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.475 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 0.7 OUTLIER -65.2 -10.21 29.68 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -179.407 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 42.4 m-70 -74.4 -30.2 61.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.858 0.361 . . . . 0.0 110.763 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.1 pt -121.43 -0.25 7.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.908 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 11.9 t . . . . . 0 C--N 1.33 -0.25 0 CA-C-O 120.785 0.326 . . . . 0.0 111.12 -179.842 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.622 0.249 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.623 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 34.1 t -69.9 129.76 40.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.885 0.374 . . . . 0.0 110.843 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.45 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.5 m0 -54.72 -19.2 5.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.957 -179.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -112.62 -61.79 1.68 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.917 0.389 . . . . 0.0 111.051 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.623 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 67.5 m -52.32 -43.2 64.41 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -177.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 83.37 -2.12 87.65 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.194 -1.003 . . . . 0.0 112.542 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.28 -69.5 0.76 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.839 0.352 . . . . 0.0 111.138 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -153.52 144.69 22.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -102.33 -151.08 0.42 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.796 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 9.8 p 170.47 -55.57 0.01 OUTLIER 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.924 0.393 . . . . 0.0 110.789 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -86.91 152.97 21.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.005 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 3.9 m -130.51 140.23 50.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.155 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 16.0 t -48.76 120.88 4.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.149 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.11 -15.57 58.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.01 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -86.27 -30.49 22.24 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.766 -0.73 . . . . 0.0 113.233 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.2 p -127.16 -8.37 5.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 117.234 0.517 . . . . 0.0 112.037 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 16.8 m120 56.3 25.94 9.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.758 0.313 . . . . 0.0 111.451 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 59.4 m -119.0 -63.85 1.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.36 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.45 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -48.65 138.56 10.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.364 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.37 140.45 52.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . 0.415 ' CE1' ' HB2' ' A' ' 691' ' ' ASP . 81.4 m-85 -147.15 170.59 16.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.002 0.429 . . . . 0.0 110.772 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 16.6 p -96.64 -15.73 21.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.523 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -165.33 -179.03 38.91 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.453 -0.88 . . . . 0.0 112.9 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.1 -40.31 82.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.658 0.266 . . . . 0.0 111.447 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -61.0 -46.59 90.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.792 0.33 . . . . 0.0 110.77 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -61.7 -39.3 90.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.826 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -68.39 -35.47 77.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.325 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.8 -39.62 69.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -63.78 -43.89 95.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.552 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . 0.415 ' HB2' ' CE1' ' A' ' 682' ' ' TYR . 3.7 m-20 -85.91 -17.3 35.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.98 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.409 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.91 -45.41 67.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.706 -179.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.43 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 1.6 tm-20 -57.28 -47.82 80.47 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.651 -0.419 . . . . 0.0 111.014 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.55 -35.94 70.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.165 0.507 . . . . 0.0 110.495 178.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -59.11 -31.12 68.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.33 -178.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.43 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -62.28 -10.56 11.34 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -179.524 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -74.19 -29.99 62.0 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.733 0.302 . . . . 0.0 110.973 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.4 pt -119.96 -0.19 7.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 39.1 t . . . . . 0 C--N 1.331 -0.197 0 CA-C-O 120.868 0.366 . . . . 0.0 110.967 -179.661 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.596 0.236 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.572 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 20.5 t -71.71 129.31 38.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.866 0.365 . . . . 0.0 110.951 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.437 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.0 m0 -55.4 -19.94 10.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.794 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -111.25 -62.3 1.57 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.917 0.389 . . . . 0.0 110.955 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.572 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 84.6 m -53.47 -42.41 67.18 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -177.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.53 -1.83 86.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.189 -1.005 . . . . 0.0 112.7 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.36 -69.78 0.75 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.842 0.353 . . . . 0.0 111.064 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -153.08 143.93 22.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.094 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -101.96 -151.24 0.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 8.5 t 171.62 -56.69 0.01 OUTLIER 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.891 0.377 . . . . 0.0 110.816 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -86.97 155.03 20.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.932 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 38.2 m -131.22 140.34 49.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.089 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 40.6 t -49.08 121.53 4.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.209 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.47 -15.19 58.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.6 -31.24 22.1 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.753 -0.736 . . . . 0.0 113.19 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 30.1 p -126.82 -7.57 6.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 117.28 0.54 . . . . 0.0 111.978 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 55.92 25.94 9.22 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.587 0.232 . . . . 0.0 111.426 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 5.9 m -118.8 -62.83 1.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.278 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.437 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -48.56 140.73 7.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.377 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -129.0 142.01 51.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . 0.436 ' CE1' ' HB2' ' A' ' 691' ' ' ASP . 90.9 m-85 -149.41 171.82 15.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.96 0.41 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 17.7 p -99.05 -16.12 18.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.556 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.82 169.75 36.56 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.31 -0.948 . . . . 0.0 112.936 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 79.4 p -61.26 -39.82 91.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.682 0.277 . . . . 0.0 111.257 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -60.92 -46.51 90.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.875 0.369 . . . . 0.0 110.596 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -57.89 -36.61 72.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.766 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . 0.435 ' HG2' ' CD2' ' A' ' 682' ' ' TYR . 4.3 mt-30 -67.23 -36.87 82.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.496 179.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -71.72 -39.93 69.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.228 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -46.19 90.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.926 0.393 . . . . 0.0 110.698 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . 0.436 ' HB2' ' CE1' ' A' ' 682' ' ' TYR . 12.1 m-20 -85.92 -16.1 39.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.251 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.409 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.74 -45.51 67.05 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.629 -179.262 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.478 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 4.4 mp0 -56.17 -47.42 78.29 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.661 -0.415 . . . . 0.0 110.508 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 11.4 mtpt -71.03 -35.96 72.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.058 0.456 . . . . 0.0 110.27 178.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -59.24 -31.39 69.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.557 -178.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.478 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 0.7 OUTLIER -65.04 -10.15 27.71 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.32 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 -74.46 -28.68 61.14 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.709 0.29 . . . . 0.0 110.882 179.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.2 pp -122.14 -0.34 6.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.33 -0.243 0 CA-C-O 120.846 0.355 . . . . 0.0 110.952 -179.877 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 6.7 m . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.728 0.299 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.631 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 24.9 t -70.49 129.14 38.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.876 0.369 . . . . 0.0 110.925 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.446 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.1 m0 -55.13 -19.37 7.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.867 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -111.52 -61.64 1.67 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.865 0.364 . . . . 0.0 111.056 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.631 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 64.4 m -52.24 -44.97 65.14 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -177.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 86.48 -2.44 87.4 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 120.196 -1.002 . . . . 0.0 112.631 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -100.73 -75.47 0.58 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.863 0.363 . . . . 0.0 111.028 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 7.6 tptt -146.09 144.77 30.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.405 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -102.07 -151.79 0.43 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.884 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 18.9 p 172.69 -56.7 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 120.937 0.398 . . . . 0.0 110.756 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -87.0 155.02 20.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.02 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 63.4 m -131.94 140.24 48.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.873 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 20.1 t -49.32 120.96 4.45 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.166 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.05 -15.54 58.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.983 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -86.03 -30.53 22.76 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.257 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 29.7 p -127.32 -8.36 5.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 117.3 0.55 . . . . 0.0 111.996 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 56.25 26.34 10.32 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.658 0.266 . . . . 0.0 111.417 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 1.2 m -119.6 -62.76 1.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.386 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.446 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -49.63 139.04 13.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.404 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -126.11 143.08 51.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . 0.417 ' CE1' ' HB2' ' A' ' 691' ' ' ASP . 92.8 m-85 -149.47 169.83 19.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.964 0.411 . . . . 0.0 110.715 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 17.1 p -96.98 -16.26 20.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.339 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -164.26 -179.56 38.52 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.846 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 26.4 m -68.23 -40.34 82.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.643 0.259 . . . . 0.0 111.474 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -60.93 -46.68 89.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.881 0.372 . . . . 0.0 110.835 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.97 -39.18 88.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -69.82 -34.34 73.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.41 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.72 -40.2 69.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.873 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -64.37 -42.25 96.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.563 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . 0.417 ' HB2' ' CE1' ' A' ' 682' ' ' TYR . 0.7 OUTLIER -86.81 -17.66 32.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.932 179.771 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.408 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.89 -45.0 67.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.606 -179.355 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.427 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 1.5 mt-10 -57.45 -47.76 80.95 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.839 -179.509 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.36 -35.9 71.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.201 0.524 . . . . 0.0 110.495 178.331 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -59.06 -31.13 68.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.24 -178.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.427 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -62.62 -10.49 12.46 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -179.652 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 -74.12 -30.63 62.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.771 0.32 . . . . 0.0 110.98 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.2 pp -118.86 -0.13 8.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.896 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.3 t . . . . . 0 C--N 1.33 -0.244 0 CA-C-O 120.875 0.369 . . . . 0.0 111.038 -179.835 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.596 0.236 . . . . 0.0 110.771 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.625 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 28.9 t -69.18 129.28 39.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.841 0.353 . . . . 0.0 110.877 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.451 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.7 m0 -54.98 -18.87 5.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.865 -179.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -112.46 -62.06 1.63 Allowed 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 120.871 0.367 . . . . 0.0 110.986 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.625 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 66.5 m -52.01 -43.11 63.51 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -178.059 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 83.21 -1.44 88.69 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.247 -0.977 . . . . 0.0 112.57 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.31 -72.07 0.69 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.861 0.362 . . . . 0.0 111.143 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -149.35 143.98 26.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.186 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -101.99 -151.86 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.92 -57.47 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.882 0.373 . . . . 0.0 110.842 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -86.96 155.31 20.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.99 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 17.7 m -131.89 140.29 49.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.869 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 49.2 t -49.06 120.76 4.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.125 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.23 -15.26 58.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.069 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.24 -31.79 21.74 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.717 -0.754 . . . . 0.0 113.172 -179.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 26.8 p -126.38 -7.41 6.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 117.298 0.549 . . . . 0.0 112.01 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 56.06 26.18 9.77 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.778 0.323 . . . . 0.0 111.462 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 31.4 m -119.11 -63.37 1.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.369 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.451 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -49.07 140.78 8.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.462 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -128.14 142.53 51.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.001 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -148.98 169.64 20.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.96 0.41 . . . . 0.0 110.728 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 17.5 p -96.54 -15.59 21.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.397 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -164.5 -179.43 38.61 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.896 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.33 -40.47 81.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.569 0.223 . . . . 0.0 111.299 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -60.86 -46.77 89.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.768 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.98 -38.94 87.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -68.46 -35.23 77.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.417 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -71.88 -39.57 69.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.837 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -64.82 -42.2 95.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.643 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.88 -18.0 31.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.977 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.41 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.73 -45.44 66.98 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.654 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.476 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 0.6 OUTLIER -56.17 -47.35 78.43 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.553 -179.882 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -70.87 -35.81 72.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.129 0.49 . . . . 0.0 110.165 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -59.12 -31.3 68.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.538 -0.756 . . . . 0.0 112.572 -178.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.476 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 0.7 OUTLIER -65.05 -10.2 28.23 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -179.352 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -74.37 -29.05 61.39 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.783 0.325 . . . . 0.0 110.816 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.3 pt -121.48 0.06 7.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.973 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.8 t . . . . . 0 C--N 1.33 -0.246 0 CA-C-O 120.828 0.347 . . . . 0.0 111.106 -179.841 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.642 0.258 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.61 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 20.4 t -68.97 129.24 39.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.929 0.395 . . . . 0.0 110.823 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.45 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.2 m0 -55.66 -19.11 9.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.793 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -111.3 -62.25 1.57 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 120.818 0.342 . . . . 0.0 110.841 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.61 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 68.9 m -53.14 -42.67 66.31 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -177.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.75 -0.49 88.18 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.268 -0.967 . . . . 0.0 112.589 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.14 -71.19 0.69 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.877 0.37 . . . . 0.0 111.122 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -156.43 147.56 22.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.254 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -133.24 149.03 52.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.93 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.5 m -126.48 -30.62 2.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.643 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -86.84 150.48 24.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.009 0.433 . . . . 0.0 111.258 -179.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 4.1 m -131.92 140.25 48.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.001 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 41.4 t -48.85 121.54 4.78 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.154 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 6.1 p -78.21 -15.48 58.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.013 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.62 -31.78 20.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.732 . . . . 0.0 113.286 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.4 p -126.7 -7.6 6.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 117.3 0.55 . . . . 0.0 112.03 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 5.2 m120 56.43 25.95 10.21 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.656 0.265 . . . . 0.0 111.359 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 59.3 m -118.73 -62.91 1.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.841 0.353 . . . . 0.0 111.234 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.45 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -50.93 147.73 4.79 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.203 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.57 142.75 47.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -149.46 166.67 28.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.65 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 27.2 p -96.19 -15.57 21.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.414 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.56 177.83 36.82 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.45 -0.881 . . . . 0.0 112.918 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 2.5 m -68.11 -40.47 82.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.68 0.276 . . . . 0.0 111.202 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -60.94 -46.41 90.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.816 0.341 . . . . 0.0 110.73 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.29 -39.32 82.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.812 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -70.36 -33.54 71.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.449 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -39.32 69.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -66.24 -39.71 89.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.691 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -88.61 -18.8 27.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.974 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.405 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.69 -45.41 66.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.704 -179.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.48 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 31.4 mt-10 -56.42 -47.49 78.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.966 0.412 . . . . 0.0 110.58 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.93 -36.01 72.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.241 0.544 . . . . 0.0 110.301 178.121 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . 0.418 ' CE1' HD11 ' A' ' 698' ' ' ILE . 6.4 t60 -59.28 -31.41 69.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.399 -0.819 . . . . 0.0 112.532 -178.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.48 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 0.7 OUTLIER -65.16 -9.93 27.09 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.239 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -74.54 -29.76 61.5 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.763 0.316 . . . . 0.0 110.803 179.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . 0.418 HD11 ' CE1' ' A' ' 695' ' ' HIS . 2.3 pp -121.62 -0.45 7.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.331 -0.229 0 CA-C-O 120.82 0.343 . . . . 0.0 111.054 -179.794 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 22.1 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.619 0.247 . . . . 0.0 110.779 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.596 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 19.7 t -72.82 129.05 37.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.439 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.4 m0 -55.45 -19.18 8.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.683 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -111.77 -62.15 1.6 Allowed 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 120.85 0.357 . . . . 0.0 110.984 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.596 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 68.1 m -52.69 -42.59 64.93 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -177.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.63 -1.51 87.78 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.205 -0.998 . . . . 0.0 112.526 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.06 -69.43 0.77 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.836 0.351 . . . . 0.0 111.046 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.32 144.42 22.97 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.194 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . 0.414 ' O ' ' HB3' ' A' ' 671' ' ' SER . . . -99.58 -154.77 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.941 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 671' ' ' SER . . . . . 0.414 ' HB3' ' O ' ' A' ' 670' ' ' ALA . 5.1 p 176.84 -58.95 0.01 OUTLIER 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.845 0.355 . . . . 0.0 110.648 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . 0.405 ' N ' ' OG ' ' A' ' 671' ' ' SER . 6.8 mm-40 -87.19 157.8 19.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.972 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 13.0 m -131.86 140.15 49.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.931 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 44.1 t -49.41 121.08 4.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.112 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 1.7 t -78.3 -15.35 58.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.052 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.38 -31.87 21.08 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 113.211 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 26.9 p -126.6 -7.57 6.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 117.365 0.583 . . . . 0.0 112.054 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 53.9 m-20 56.06 26.24 9.85 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.724 0.297 . . . . 0.0 111.499 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 57.4 m -119.64 -62.31 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.852 0.358 . . . . 0.0 111.439 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.439 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -49.48 139.32 12.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.409 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -125.53 143.45 51.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . 0.416 ' CE1' ' HB2' ' A' ' 691' ' ' ASP . 79.1 m-85 -149.33 168.74 22.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.66 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 17.3 p -96.84 -15.71 21.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.307 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -162.24 179.11 37.77 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.81 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.22 -41.11 81.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.68 0.276 . . . . 0.0 111.385 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -60.95 -46.5 90.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.815 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -58.55 -37.18 75.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -68.87 -35.07 76.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.367 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -71.8 -39.78 69.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -65.25 -41.81 93.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.598 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . 0.416 ' HB2' ' CE1' ' A' ' 682' ' ' TYR . 1.3 m-20 -86.73 -17.96 32.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.996 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.405 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.81 -45.45 67.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.542 -179.364 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.473 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 1.7 mt-10 -56.13 -47.38 78.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.948 0.404 . . . . 0.0 110.527 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.82 -35.77 72.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.138 0.494 . . . . 0.0 110.162 178.227 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -59.23 -31.28 68.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.563 -178.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.473 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 0.7 OUTLIER -65.27 -10.35 31.49 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.322 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 -74.55 -27.94 60.73 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.764 0.316 . . . . 0.0 110.731 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.8 pp -124.46 0.01 5.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.996 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 9.1 t . . . . . 0 C--N 1.33 -0.247 0 CA-C-O 120.814 0.34 . . . . 0.0 111.063 -179.763 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.65 0.262 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.589 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 17.1 t -70.75 129.25 38.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.919 0.39 . . . . 0.0 110.97 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.437 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 13.6 m0 -56.2 -18.97 11.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.742 -179.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -111.49 -62.42 1.55 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.79 0.329 . . . . 0.0 110.919 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.589 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 71.1 m -52.85 -42.45 65.21 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -178.048 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.69 -1.23 88.5 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.272 -0.966 . . . . 0.0 112.696 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.37 -69.15 0.78 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.844 0.355 . . . . 0.0 111.19 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -153.3 144.34 22.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.196 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -101.25 -151.86 0.42 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.994 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.2 m 172.48 -56.82 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 120.884 0.373 . . . . 0.0 110.709 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -86.96 155.93 19.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.928 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 27.1 m -129.69 140.26 51.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.015 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 32.9 t -49.75 121.72 5.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.037 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.91 -15.75 58.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.062 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.4 -31.76 21.33 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 113.204 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 31.7 p -126.34 -7.82 6.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 117.3 0.55 . . . . 0.0 111.986 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 5.4 m120 55.95 25.98 9.33 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.629 0.252 . . . . 0.0 111.392 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 57.7 m -119.75 -62.18 1.52 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.789 0.328 . . . . 0.0 111.404 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.437 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -49.05 138.35 11.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.515 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.79 143.45 49.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . 0.456 ' CD2' ' CG ' ' A' ' 688' ' ' GLN . 84.3 m-85 -149.49 168.8 22.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.371 . . . . 0.0 110.727 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 17.6 p -97.34 -15.69 20.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.536 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -163.03 179.1 38.47 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.373 -0.917 . . . . 0.0 113.024 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 30.8 p -68.17 -39.94 82.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.636 0.255 . . . . 0.0 111.352 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -60.88 -46.61 89.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.837 0.351 . . . . 0.0 110.659 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.68 -36.69 74.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . 0.456 ' CG ' ' CD2' ' A' ' 682' ' ' TYR . 22.0 mt-30 -65.72 -38.18 88.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.472 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -71.78 -39.63 69.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.13 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -61.99 -47.14 86.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.617 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -84.71 -16.3 42.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.184 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.408 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 3.0 t-105 -52.89 -45.37 67.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.781 -179.368 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.417 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 0.5 OUTLIER -57.23 -47.83 80.35 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.914 -179.431 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.4 -35.97 71.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.136 0.493 . . . . 0.0 110.598 178.301 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -59.08 -31.08 68.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.597 -0.729 . . . . 0.0 112.323 -178.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.417 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.0 OUTLIER -63.02 -11.25 17.9 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -179.569 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -74.23 -28.44 61.25 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.657 0.265 . . . . 0.0 110.958 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.2 pp -123.04 0.34 6.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.0 t . . . . . 0 C--N 1.33 -0.248 0 CA-C-O 120.756 0.313 . . . . 0.0 111.022 -179.867 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 7.3 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.576 0.226 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.617 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 26.6 t -69.56 129.42 39.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.911 0.386 . . . . 0.0 110.827 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.458 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.7 m0 -55.24 -19.28 7.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.817 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -111.93 -61.92 1.64 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.813 0.339 . . . . 0.0 111.035 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.617 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 66.9 m -52.41 -42.8 64.37 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -178.077 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.58 -1.31 88.12 Favored Glycine 0 CA--C 1.519 0.344 0 C-N-CA 120.224 -0.988 . . . . 0.0 112.529 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.93 -68.0 0.83 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.839 0.352 . . . . 0.0 111.039 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.08 144.01 21.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.202 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -101.56 -151.69 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.86 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 172.76 -56.99 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.871 0.367 . . . . 0.0 110.831 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -86.89 155.84 20.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.003 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 82.2 m -131.79 140.19 49.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.904 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 27.7 t -49.6 120.67 4.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.061 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 14.9 m -77.93 -15.41 59.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.067 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -86.11 -30.72 22.06 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.736 -0.745 . . . . 0.0 113.206 -179.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.0 p -127.27 -8.29 5.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 117.32 0.56 . . . . 0.0 112.076 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 56.48 26.33 10.76 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.63 0.252 . . . . 0.0 111.427 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 57.0 m -119.45 -62.61 1.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.402 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.458 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -49.76 138.55 14.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.467 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 4.1 ttt-85 -126.13 142.88 51.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.943 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . 0.415 ' CE1' ' HB2' ' A' ' 691' ' ' ASP . 77.1 m-85 -149.44 169.68 20.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.933 0.396 . . . . 0.0 110.719 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 16.9 p -97.09 -15.59 20.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.409 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -163.44 179.9 38.26 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.397 -0.906 . . . . 0.0 112.842 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 93.9 p -68.19 -41.32 81.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.717 0.294 . . . . 0.0 111.352 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -60.86 -46.58 90.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.749 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.93 -38.67 83.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . 0.41 ' HG3' ' CE2' ' A' ' 682' ' ' TYR . 12.1 tt0 -69.17 -34.66 75.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.305 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -71.88 -39.92 69.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -65.06 -41.06 95.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.544 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . 0.415 ' HB2' ' CE1' ' A' ' 682' ' ' TYR . 1.9 m-20 -87.24 -18.46 30.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.925 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.406 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 3.0 t-105 -52.97 -45.45 67.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.677 -179.406 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.423 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 1.3 mt-10 -56.73 -47.89 79.0 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.77 -179.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 11.1 pttp -71.36 -35.84 71.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.093 0.473 . . . . 0.0 110.493 178.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -59.01 -31.15 68.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.366 -178.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.423 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -62.72 -10.69 13.59 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -179.546 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -74.22 -31.64 62.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.671 0.272 . . . . 0.0 110.909 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.5 pp -118.55 0.25 8.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.911 -179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.33 -0.244 0 CA-C-O 120.805 0.336 . . . . 0.0 111.056 -179.828 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 45.9 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.633 0.254 . . . . 0.0 110.758 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.603 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 19.7 t -66.38 129.48 39.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.837 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.442 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 12.7 m0 -55.92 -18.67 9.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.686 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -111.89 -62.47 1.56 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.866 0.365 . . . . 0.0 110.84 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.603 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 71.4 m -53.05 -42.32 65.67 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.053 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.7 -0.6 87.97 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 120.272 -0.966 . . . . 0.0 112.596 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.68 -70.06 0.74 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.876 0.369 . . . . 0.0 111.116 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -156.59 146.55 21.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.12 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -131.66 147.95 52.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.967 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.43 -31.66 2.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.495 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -86.85 150.59 24.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.092 0.472 . . . . 0.0 111.054 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 28.6 m -131.85 140.32 49.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.045 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 49.8 t -48.6 121.09 4.2 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.128 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 10.7 t -78.35 -15.37 58.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.109 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.09 -32.21 21.13 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.752 -0.737 . . . . 0.0 113.262 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 26.9 p -126.16 -7.0 6.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 117.315 0.557 . . . . 0.0 112.015 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 6.5 m120 56.09 26.03 9.65 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.717 0.294 . . . . 0.0 111.328 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 3.1 m -118.85 -62.87 1.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.332 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.442 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -50.78 148.9 3.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.33 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.11 142.96 47.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . 0.411 ' CE2' ' HG3' ' A' ' 688' ' ' GLN . 47.2 m-85 -149.52 165.73 31.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.933 0.397 . . . . 0.0 110.631 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 24.9 p -95.66 -15.43 22.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.564 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -161.31 178.14 37.36 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.367 -0.92 . . . . 0.0 112.961 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.13 -39.67 82.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.699 0.285 . . . . 0.0 111.246 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -60.94 -46.54 90.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.593 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.83 -38.28 78.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . 0.411 ' HG3' ' CE2' ' A' ' 682' ' ' TYR . 41.7 tt0 -67.99 -35.81 78.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.311 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -71.89 -39.43 69.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.824 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -40.84 90.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.566 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -86.87 -18.38 31.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.924 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.431 ' CZ3' ' HB3' ' A' ' 696' ' ' HIS . 2.9 t-105 -52.84 -45.12 67.19 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.605 -179.393 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.501 ' O ' ' CD2' ' A' ' 696' ' ' HIS . 0.1 OUTLIER -56.16 -47.37 78.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.046 0.45 . . . . 0.0 110.442 -179.845 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.04 -35.92 72.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.191 0.52 . . . . 0.0 110.343 178.205 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -59.63 -31.65 69.7 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 113.218 0.822 . . . . 0.0 113.218 -178.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.501 ' CD2' ' O ' ' A' ' 693' ' ' GLU . 0.5 OUTLIER -67.63 -9.15 40.52 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.814 -179.228 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -74.4 -30.44 61.95 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.816 0.341 . . . . 0.0 110.51 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.2 pt -123.77 -0.26 6.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.935 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 9.6 t . . . . . 0 C--N 1.331 -0.204 0 CA-C-O 120.877 0.37 . . . . 0.0 110.964 -179.799 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.64 0.257 . . . . 0.0 110.7 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.626 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 25.6 t -71.19 129.1 38.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.9 0.381 . . . . 0.0 110.932 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.454 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.4 m0 -54.62 -19.34 5.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.847 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -112.24 -61.59 1.7 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.835 0.35 . . . . 0.0 111.061 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.626 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 64.4 m -52.27 -43.18 64.26 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -177.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.67 -1.24 88.43 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.158 -1.02 . . . . 0.0 112.538 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.35 -67.9 0.84 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.889 0.376 . . . . 0.0 111.202 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -154.12 143.78 21.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.252 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -100.34 -152.94 0.43 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.2 m 173.69 -58.59 0.01 OUTLIER 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.842 0.353 . . . . 0.0 110.766 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -86.97 154.79 20.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.028 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 48.8 m -131.75 140.22 49.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.985 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 33.4 t -49.04 120.6 4.04 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.126 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.96 -15.4 59.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.043 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.53 -30.93 23.12 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.8 -0.714 . . . . 0.0 113.189 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.7 p -126.94 -7.97 6.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 117.199 0.5 . . . . 0.0 112.055 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 16.8 m120 55.87 26.4 9.65 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.68 0.276 . . . . 0.0 111.413 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 2.0 m -119.09 -63.86 1.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.367 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.454 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -48.82 136.51 13.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.557 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -123.68 142.62 50.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . 0.421 ' CD2' ' HG3' ' A' ' 688' ' ' GLN . 98.0 m-85 -149.41 170.66 18.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.94 0.4 . . . . 0.0 110.791 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 16.9 p -97.37 -16.26 20.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.324 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -164.28 -179.39 38.43 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.861 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 12.1 m -68.23 -40.66 81.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.751 0.31 . . . . 0.0 111.474 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . 0.4 ' CE2' ' SG ' ' A' ' 687' ' ' CYS . 45.1 p90 -60.97 -46.68 89.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.868 0.366 . . . . 0.0 110.838 -179.629 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . 0.4 ' SG ' ' CE2' ' A' ' 686' ' ' PHE . 1.7 m -61.31 -39.28 89.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . 0.421 ' HG3' ' CD2' ' A' ' 682' ' ' TYR . 51.3 tt0 -70.43 -34.37 72.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.436 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 52.2 m170 -71.88 -39.58 69.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.014 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.26 -44.39 91.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.621 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . 0.419 ' HB2' ' CE1' ' A' ' 682' ' ' TYR . 8.4 m-20 -85.31 -17.2 37.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.038 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.406 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.78 -45.45 67.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.676 -179.308 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.477 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 2.0 tt0 -56.27 -47.35 78.76 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.596 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.93 -35.89 72.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.137 0.494 . . . . 0.0 110.154 178.118 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . 0.422 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 19.3 t60 -59.19 -31.23 68.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.484 -0.78 . . . . 0.0 112.6 -178.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.477 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 0.7 OUTLIER -64.28 -9.76 19.56 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -179.343 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -74.36 -28.45 61.13 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.725 0.297 . . . . 0.0 110.887 179.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.1 pt -119.71 -0.45 8.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.989 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 3.8 t . . . . . 0 C--N 1.331 -0.206 0 CA-C-O 120.931 0.395 . . . . 0.0 111.034 -179.797 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.731 0.3 . . . . 0.0 110.743 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.595 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 17.8 t -65.1 129.16 38.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.816 0.341 . . . . 0.0 110.819 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.444 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 12.8 m0 -56.12 -18.76 10.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.703 -179.597 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -111.44 -62.61 1.53 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.859 0.362 . . . . 0.0 110.776 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.595 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 75.9 m -53.47 -42.07 66.85 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -178.035 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.91 -0.57 88.28 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.165 -1.017 . . . . 0.0 112.563 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.81 -70.42 0.72 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.879 0.371 . . . . 0.0 111.291 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.52 147.33 21.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.156 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -131.05 147.14 52.59 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.011 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.02 -32.16 3.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.409 -179.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -86.77 151.71 23.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.937 0.399 . . . . 0.0 111.143 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 83.4 m -131.87 140.25 49.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.976 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 44.3 t -49.03 121.76 5.13 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 78.9 p -78.08 -15.61 58.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.039 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.66 -31.78 20.5 Favored Glycine 0 C--N 1.333 0.365 0 C-N-CA 120.789 -0.72 . . . . 0.0 113.284 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 29.2 p -126.73 -7.51 6.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 117.266 0.533 . . . . 0.0 112.09 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 56.19 26.07 9.89 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.78 0.324 . . . . 0.0 111.426 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 58.7 m -119.08 -62.23 1.54 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.321 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.444 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -51.18 148.23 4.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.294 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 2.6 mmt85 -133.63 143.7 48.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.93 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -149.46 165.42 32.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.927 0.394 . . . . 0.0 110.711 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 25.7 p -95.62 -15.32 22.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.337 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.55 177.47 36.96 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.447 -0.882 . . . . 0.0 112.881 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 30.0 m -68.06 -39.99 82.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.688 0.28 . . . . 0.0 111.215 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -60.97 -46.44 90.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.674 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.01 -37.51 74.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -67.93 -35.77 79.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.43 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -71.83 -39.38 69.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.882 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 28.9 mmtt -64.75 -42.86 94.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.536 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -86.2 -17.79 33.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.965 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.422 ' CZ3' ' HB3' ' A' ' 696' ' ' HIS . 2.9 t-105 -52.72 -45.4 66.92 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.608 -179.324 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.497 ' O ' ' CD2' ' A' ' 696' ' ' HIS . 1.1 tt0 -56.16 -47.46 78.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.037 0.446 . . . . 0.0 110.524 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.98 -36.06 72.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.094 0.473 . . . . 0.0 110.413 178.227 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -59.55 -31.68 69.64 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 -178.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.497 ' CD2' ' O ' ' A' ' 693' ' ' GLU . 0.4 OUTLIER -67.25 -9.2 38.2 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.884 -179.079 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -74.64 -28.62 60.94 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.745 0.307 . . . . 0.0 110.652 178.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.7 pp -124.2 -0.51 5.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.7 t . . . . . 0 C--N 1.332 -0.178 0 CA-C-O 120.783 0.325 . . . . 0.0 110.943 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 69.7 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.645 0.26 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.581 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 18.8 t -70.86 129.45 39.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.35 . . . . 0.0 110.822 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.444 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 12.8 m0 -56.3 -18.86 11.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.764 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -111.72 -62.93 1.48 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.868 0.366 . . . . 0.0 110.806 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.581 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 77.4 m -52.86 -42.49 65.27 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -178.048 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.75 -1.2 86.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.219 -0.991 . . . . 0.0 112.666 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -96.69 -68.87 0.78 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.93 0.395 . . . . 0.0 111.162 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.68 147.49 18.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.129 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -132.48 148.53 52.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.0 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 44.9 p -125.61 -31.43 2.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.528 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -86.75 151.27 23.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.021 0.439 . . . . 0.0 111.095 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 31.9 m -131.91 140.28 49.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.03 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 46.4 t -48.7 121.44 4.61 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.089 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 11.3 m -78.52 -15.34 58.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.016 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.33 -32.16 20.52 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 120.786 -0.721 . . . . 0.0 113.254 -179.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.7 p -125.85 -6.98 6.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 117.322 0.561 . . . . 0.0 111.926 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 55.87 25.57 8.7 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.746 0.308 . . . . 0.0 111.385 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 59.8 m -118.19 -63.73 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.186 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.444 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -49.28 146.56 3.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.272 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.54 142.11 46.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . 0.447 ' CD1' ' HG2' ' A' ' 688' ' ' GLN . 86.9 m-85 -149.48 174.35 12.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.001 0.429 . . . . 0.0 110.827 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 25.8 p -102.45 -15.37 16.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.843 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -157.97 174.8 35.28 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.227 -0.987 . . . . 0.0 113.149 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 1.1 m -68.19 -39.71 82.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.702 0.287 . . . . 0.0 111.103 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -60.81 -45.47 94.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.469 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 2.3 m -57.74 -36.48 72.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.807 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . 0.447 ' HG2' ' CD1' ' A' ' 682' ' ' TYR . 74.8 mt-30 -66.76 -36.88 83.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.543 179.429 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -71.77 -39.44 69.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.123 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -63.04 -44.92 94.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.788 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.71 -16.66 35.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.199 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.404 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.61 -45.37 66.54 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.631 -179.28 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.483 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 3.1 mt-10 -56.13 -47.4 78.24 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.577 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.93 -36.0 72.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.044 0.449 . . . . 0.0 110.273 178.133 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -59.3 -31.48 69.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.626 -0.716 . . . . 0.0 112.536 -178.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.483 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 0.7 OUTLIER -65.95 -10.41 38.86 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.634 -179.503 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 42.7 m-70 -74.39 -30.2 61.86 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.837 0.351 . . . . 0.0 110.81 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.5 pp -124.16 0.02 5.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.123 -179.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.331 -0.208 0 CA-C-O 120.881 0.372 . . . . 0.0 111.071 -179.799 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 6.6 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.688 0.28 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.608 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 18.5 t -66.57 129.02 38.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.863 0.363 . . . . 0.0 110.764 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.444 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 13.1 m0 -55.65 -18.88 8.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.722 -179.652 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -111.62 -62.32 1.57 Allowed 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.874 0.369 . . . . 0.0 110.83 -179.876 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.608 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 69.3 m -53.13 -42.47 66.09 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -178.036 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.22 -0.82 88.43 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.264 -0.97 . . . . 0.0 112.567 -179.561 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.03 -71.42 0.68 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.864 0.364 . . . . 0.0 111.085 -179.932 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.69 147.75 23.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.221 -179.862 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -131.14 147.12 52.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.922 179.851 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 43.8 m -124.68 -32.55 3.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.441 -179.759 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -86.86 151.13 23.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.997 0.427 . . . . 0.0 111.158 -179.535 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 26.8 m -131.82 140.22 49.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.976 -179.616 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 42.3 t -48.96 121.47 4.78 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.243 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.3 -15.53 58.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.024 179.7 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.43 -31.99 20.64 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.696 -0.764 . . . . 0.0 113.232 -179.424 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 27.3 p -126.38 -7.39 6.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 117.312 0.556 . . . . 0.0 112.013 -179.697 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 56.35 25.9 10.0 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.695 0.284 . . . . 0.0 111.403 179.757 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 2.0 m -118.8 -62.94 1.46 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.338 -179.676 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.444 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -50.22 146.83 4.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.318 -179.83 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 4.6 mmt85 -132.42 142.36 49.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . 0.418 ' CE2' ' HG2' ' A' ' 688' ' ' GLN . 91.0 m-85 -149.61 166.48 29.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.927 0.394 . . . . 0.0 110.742 179.872 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 28.6 p -96.37 -15.76 21.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.439 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.16 177.04 36.78 Favored Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.36 -0.924 . . . . 0.0 112.901 -179.639 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 5.7 p -68.13 -39.92 82.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.664 0.268 . . . . 0.0 111.245 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -60.85 -46.51 90.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.596 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.61 -37.94 76.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . 0.418 ' HG2' ' CE2' ' A' ' 682' ' ' TYR . 0.5 OUTLIER -70.33 -34.32 72.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.425 179.482 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -71.76 -39.63 69.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -65.03 -42.05 94.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.604 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.02 -17.86 31.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.994 179.808 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.408 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.76 -45.22 66.99 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.621 -179.433 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.413 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 7.3 tt0 -56.2 -47.34 78.56 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.486 -179.813 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -71.15 -35.95 71.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.499 178.261 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -59.08 -31.14 68.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.367 -178.527 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.413 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.0 OUTLIER -63.28 -10.76 17.39 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -179.617 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -74.32 -36.3 63.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.726 0.298 . . . . 0.0 111.123 179.551 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.6 pp -117.33 0.19 8.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -179.428 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.9 t . . . . . 0 C--N 1.331 -0.197 0 CA-C-O 120.799 0.333 . . . . 0.0 111.021 -179.82 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.676 0.274 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.593 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 19.8 t -63.0 129.45 40.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.903 0.383 . . . . 0.0 110.779 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.455 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 13.6 m0 -55.56 -19.33 9.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.766 -179.698 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -111.59 -62.28 1.58 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.886 0.374 . . . . 0.0 110.917 -179.813 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.593 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 72.4 m -53.48 -42.25 67.04 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -178.032 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 83.04 -1.35 88.83 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.227 -0.987 . . . . 0.0 112.477 -179.457 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.56 -73.98 0.57 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.884 0.373 . . . . 0.0 111.081 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -152.98 146.83 25.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.142 -179.669 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -128.01 144.9 51.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 179.69 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 2.9 m -123.84 -34.2 3.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.347 -179.72 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -86.81 151.04 23.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.979 0.419 . . . . 0.0 111.13 -179.542 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 25.8 m -131.94 140.2 48.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.007 -179.748 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 40.2 t -48.59 121.71 4.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.241 179.939 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 65.1 m -78.39 -15.56 58.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.978 179.701 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.23 -32.68 19.5 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 113.298 -179.41 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 30.4 p -125.68 -7.0 6.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 117.326 0.563 . . . . 0.0 112.036 -179.773 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 11.4 m120 55.91 25.72 8.95 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.751 0.31 . . . . 0.0 111.402 179.775 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 17.2 m -118.5 -63.53 1.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.321 -179.731 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.455 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -50.56 148.03 4.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.255 -179.886 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 -134.62 144.22 47.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -149.48 166.38 29.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.711 179.866 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 24.3 p -94.83 -15.59 23.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.372 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.99 178.28 37.02 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.82 -179.711 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.12 -39.93 82.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.728 0.299 . . . . 0.0 111.297 -179.905 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -60.89 -46.45 90.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.842 -179.795 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.71 -38.16 77.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.914 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -68.83 -35.33 76.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.399 179.458 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 51.9 m170 -71.95 -39.31 69.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.861 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 3.4 mttm -64.77 -43.75 92.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.573 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -85.85 -17.26 36.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.022 179.756 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.412 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.72 -45.23 66.86 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.642 -179.314 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.487 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 5.4 tp10 -56.24 -47.54 78.29 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.527 -179.767 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -70.89 -36.06 72.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.147 0.498 . . . . 0.0 110.181 178.176 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -59.33 -31.42 69.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.527 -0.76 . . . . 0.0 112.509 -178.636 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.487 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 0.7 OUTLIER -65.72 -10.74 39.48 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.607 -179.442 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -74.59 -29.6 61.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.775 0.322 . . . . 0.0 110.777 179.088 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.1 pt -122.61 -0.67 6.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.98 -179.45 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.4 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 120.885 0.374 . . . . 0.0 110.861 -179.938 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.649 0.262 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.629 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 18.6 t -67.52 128.99 38.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.923 0.392 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.448 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.8 m0 -56.03 -18.77 10.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.767 -179.637 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -111.2 -62.35 1.56 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.853 0.359 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.629 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 64.9 m -51.97 -45.84 64.58 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -178.084 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 86.8 -1.27 86.91 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.222 -0.99 . . . . 0.0 112.716 -179.703 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -99.07 -75.46 0.56 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.894 0.378 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -150.11 147.99 28.44 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.557 -179.674 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -132.83 148.7 52.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.884 179.61 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.09 -31.01 2.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.635 -179.673 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -86.82 150.06 24.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.023 0.439 . . . . 0.0 111.228 -179.432 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 12.8 m -131.86 140.3 49.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.952 -179.821 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 42.2 t -49.22 121.4 4.86 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.196 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 42.7 t -78.28 -15.52 58.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.026 179.717 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.38 -31.93 20.92 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 113.289 -179.447 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 27.7 p -126.51 -7.54 6.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 117.297 0.548 . . . . 0.0 112.047 -179.746 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 56.52 26.0 10.44 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.724 0.297 . . . . 0.0 111.416 179.772 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.91 -62.81 1.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.284 -179.606 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.448 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -51.16 147.8 5.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.201 -179.912 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -134.6 142.73 47.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.929 -179.867 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -149.55 166.0 30.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.667 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 26.1 p -95.33 -15.69 22.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.477 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -161.54 178.58 37.38 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.992 -179.797 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 52.1 p -68.16 -40.31 82.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.664 0.269 . . . . 0.0 111.224 -179.875 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -60.86 -46.47 90.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.731 -179.844 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.35 -39.84 88.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.844 179.785 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -69.89 -34.13 73.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.43 179.467 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -71.81 -38.98 70.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.888 179.835 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 6.1 mtpp -65.4 -41.49 93.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.652 179.807 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -87.59 -18.37 29.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.092 179.738 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.409 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.79 -45.29 67.11 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.634 -179.374 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.426 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 3.5 tt0 -56.18 -47.38 78.4 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.599 -179.786 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -71.25 -36.0 71.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.485 178.19 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -59.18 -31.21 68.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.336 -178.599 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.426 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -62.43 -10.99 13.25 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -179.459 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -74.11 -40.91 62.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.721 0.296 . . . . 0.0 110.973 179.62 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.7 pp -110.51 -0.36 9.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.474 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 9.1 t . . . . . 0 C--N 1.331 -0.238 0 CA-C-O 120.812 0.339 . . . . 0.0 111.067 -179.715 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.626 0.25 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.583 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 15.7 t -64.65 129.01 38.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.894 0.378 . . . . 0.0 110.863 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.442 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 12.9 m0 -56.07 -18.91 10.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.701 -179.686 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -111.29 -62.58 1.53 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.869 0.366 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.583 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 87.1 m -53.89 -41.77 67.93 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -178.066 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.23 -0.37 87.7 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.195 -1.002 . . . . 0.0 112.612 -179.586 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.81 -67.41 0.85 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.902 0.382 . . . . 0.0 111.195 -179.871 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.54 146.76 16.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.265 -179.734 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -129.08 145.25 51.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.946 179.78 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.41 -34.19 3.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.321 -179.798 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -86.81 152.12 22.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.942 0.401 . . . . 0.0 111.066 -179.674 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 48.4 m -131.92 140.26 48.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.033 -179.624 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 39.9 t -48.78 121.99 5.21 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.38 -15.63 58.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.022 179.633 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.2 -32.63 19.7 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.833 -0.699 . . . . 0.0 113.257 -179.394 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 31.0 p -125.65 -7.11 6.82 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 117.277 0.538 . . . . 0.0 111.951 -179.684 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 55.81 25.38 8.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.712 0.291 . . . . 0.0 111.43 179.701 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 7.2 m -118.24 -63.65 1.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.206 -179.661 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.442 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -49.65 146.5 4.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.285 -179.923 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 5.4 mtt85 -133.46 142.8 48.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . 0.454 ' CD2' ' HG2' ' A' ' 688' ' ' GLN . 87.2 m-85 -149.51 170.11 19.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.946 0.403 . . . . 0.0 110.81 179.929 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 28.6 p -98.48 -15.36 19.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.763 -179.665 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -159.63 176.48 36.37 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.288 -0.958 . . . . 0.0 113.159 -179.641 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 65.6 p -68.18 -39.2 82.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.691 0.282 . . . . 0.0 111.294 -179.871 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -60.7 -46.25 91.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.914 0.387 . . . . 0.0 110.559 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . 0.471 ' O ' ' HG2' ' A' ' 690' ' ' LYS . 2.0 m -57.76 -36.28 71.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.737 179.753 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . 0.454 ' HG2' ' CD2' ' A' ' 682' ' ' TYR . 63.8 mt-30 -69.01 -36.51 77.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.408 179.427 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.01 -42.25 66.62 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.385 -179.876 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 687' ' ' CYS . 0.8 OUTLIER -64.91 -38.76 92.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.93 0.395 . . . . 0.0 110.641 -179.864 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -88.8 -18.21 28.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.976 179.654 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.407 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.78 -44.39 66.53 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.594 -179.423 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.475 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 2.2 tt0 -56.86 -47.46 80.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.961 0.41 . . . . 0.0 110.564 -179.922 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -71.05 -36.03 72.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.172 0.511 . . . . 0.0 110.352 178.253 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . 0.418 ' CE1' HD11 ' A' ' 698' ' ' ILE . 3.6 t60 -59.3 -31.34 69.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.624 -178.666 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.475 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 0.7 OUTLIER -65.55 -9.84 29.96 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.284 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -74.55 -30.32 61.7 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.713 0.292 . . . . 0.0 110.823 179.175 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . 0.418 HD11 ' CE1' ' A' ' 695' ' ' HIS . 2.6 pp -124.16 0.17 5.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -179.381 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 6.1 t . . . . . 0 C--N 1.33 -0.265 0 CA-C-O 120.799 0.333 . . . . 0.0 111.001 -179.856 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.74 0.305 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.623 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 20.7 t -69.84 129.14 38.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.882 0.372 . . . . 0.0 110.807 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.444 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.7 m0 -55.6 -19.06 9.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.745 -179.656 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -111.34 -62.45 1.55 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.777 0.322 . . . . 0.0 110.887 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.623 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 66.7 m -52.24 -42.64 63.79 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -178.078 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.41 -1.16 88.18 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.227 -0.987 . . . . 0.0 112.537 -179.537 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.03 -72.41 0.65 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.903 0.382 . . . . 0.0 111.164 -179.893 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 2.3 tppt? -154.32 148.08 25.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.278 -179.797 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -131.97 147.94 52.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.949 179.717 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.09 -33.23 2.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.484 -179.762 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -86.76 149.72 24.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.053 0.454 . . . . 0.0 111.155 -179.503 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 62.8 m -131.84 140.3 49.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.038 -179.651 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 36.7 t -48.49 121.08 4.14 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.145 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 65.5 m -78.27 -15.24 58.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.112 179.731 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.23 -31.53 22.42 Favored Glycine 0 C--N 1.332 0.361 0 C-N-CA 120.724 -0.751 . . . . 0.0 113.22 -179.478 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 30.7 p -126.32 -7.31 6.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 117.231 0.516 . . . . 0.0 112.013 -179.79 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 24.8 m120 55.84 25.74 8.85 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.712 0.291 . . . . 0.0 111.357 179.721 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 3.0 m -118.77 -62.81 1.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.304 -179.679 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.444 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -49.93 143.96 7.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.293 -179.872 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -129.59 140.96 51.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 -179.927 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -149.45 167.8 25.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.952 0.406 . . . . 0.0 110.774 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 27.0 p -97.46 -16.11 20.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.556 -179.855 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -161.05 177.9 37.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.351 -0.928 . . . . 0.0 113.012 -179.649 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 10.1 m -68.12 -40.03 82.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.727 0.299 . . . . 0.0 111.255 -179.914 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -60.94 -46.43 90.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.835 0.35 . . . . 0.0 110.638 -179.866 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.95 -39.31 85.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.763 179.79 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -69.45 -34.69 74.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.363 179.443 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -71.76 -39.36 70.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.791 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -42.86 96.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.574 179.817 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -87.18 -17.81 31.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.052 179.845 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.413 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.78 -45.48 67.15 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.665 -179.365 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.415 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 2.4 tt0 -56.13 -47.4 78.23 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.533 -179.699 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -71.26 -35.98 71.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.488 178.206 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -59.12 -31.23 68.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.326 -178.55 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.415 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -63.14 -11.59 21.5 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -179.442 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -74.43 -28.71 61.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.661 0.267 . . . . 0.0 111.019 179.567 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.1 pt -122.64 -0.59 6.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.334 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.847 0.356 . . . . 0.0 110.96 -179.702 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.61 0.243 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.615 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 27.4 t -66.76 129.55 40.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.882 0.372 . . . . 0.0 110.779 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.452 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.5 m0 -55.31 -19.03 7.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.835 -179.6 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -111.88 -62.51 1.55 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.96 0.409 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.615 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 68.8 m -52.54 -43.14 64.98 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -178.096 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.23 -0.83 88.43 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.197 -1.001 . . . . 0.0 112.558 -179.531 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.48 -67.83 0.83 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.867 0.365 . . . . 0.0 111.151 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -159.03 147.5 18.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.297 -179.789 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -131.3 147.29 52.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.924 179.737 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.27 -32.67 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.468 -179.642 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -86.8 149.85 24.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.034 0.445 . . . . 0.0 111.177 -179.468 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 33.0 m -132.0 140.18 48.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.041 -179.696 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 41.3 t -48.54 121.31 4.39 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.224 179.95 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.56 -15.25 58.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.075 179.69 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.2 -32.19 20.83 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 120.69 -0.767 . . . . 0.0 113.212 -179.392 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 29.4 p -125.87 -7.15 6.69 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 117.272 0.536 . . . . 0.0 112.007 -179.742 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 3.7 m120 56.06 25.87 9.41 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.771 0.32 . . . . 0.0 111.352 179.763 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 5.9 m -118.55 -63.4 1.41 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.27 -179.678 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.452 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -50.02 147.8 3.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.312 -179.864 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -134.52 141.88 46.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.885 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . 0.412 ' CE2' ' HG3' ' A' ' 688' ' ' GLN . 77.8 m-85 -149.5 166.72 28.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.684 179.841 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 27.3 p -95.86 -15.57 22.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.473 -179.877 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -161.09 177.96 37.24 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.386 -0.911 . . . . 0.0 112.935 -179.707 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.16 -40.32 82.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.676 0.274 . . . . 0.0 111.213 -179.887 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -60.93 -46.36 90.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.37 . . . . 0.0 110.675 -179.876 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.0 -39.56 86.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.776 179.855 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . 0.412 ' HG3' ' CE2' ' A' ' 682' ' ' TYR . 42.9 tt0 -68.96 -34.34 75.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.43 179.417 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.75 -39.24 70.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.952 179.781 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -64.99 -41.72 95.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.581 179.869 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.74 -18.4 29.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.982 179.848 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.411 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.77 -45.41 67.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.581 -179.344 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.414 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 2.8 tt0 -56.07 -47.38 78.06 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.599 -179.746 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -71.29 -35.88 71.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.159 0.504 . . . . 0.0 110.54 178.227 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -59.2 -31.11 68.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.387 -178.589 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.414 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -63.29 -11.13 19.48 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -179.643 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -74.37 -28.95 61.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.682 0.277 . . . . 0.0 111.034 179.48 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.5 pt -122.33 -0.32 6.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -179.391 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.331 -0.228 0 CA-C-O 120.864 0.364 . . . . 0.0 111.02 -179.733 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.657 0.265 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.601 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 21.5 t -70.21 129.09 38.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.913 0.387 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.441 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.4 m0 -55.47 -19.36 9.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.786 -179.579 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -111.52 -61.96 1.62 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.851 0.358 . . . . 0.0 111.062 -179.809 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.601 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 67.9 m -52.82 -42.44 65.12 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -178.024 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.77 -1.45 88.2 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.217 -0.992 . . . . 0.0 112.511 -179.521 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.14 -69.06 0.78 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.945 0.402 . . . . 0.0 111.198 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 11.6 tptt -153.72 144.3 22.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.198 -179.822 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -100.5 -152.59 0.43 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.839 179.821 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 173.42 -57.83 0.01 OUTLIER 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.874 0.368 . . . . 0.0 110.792 179.911 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -86.97 155.46 20.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.978 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 69.3 m -129.75 140.2 51.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.999 -179.616 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 41.6 t -49.64 121.53 5.28 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.835 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 80.9 p -77.83 -15.71 58.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.096 179.627 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.19 -31.82 21.81 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.728 -0.749 . . . . 0.0 113.192 -179.435 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 29.2 p -126.82 -7.52 6.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 117.35 0.575 . . . . 0.0 112.043 -179.777 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 55.98 26.43 9.9 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.68 0.276 . . . . 0.0 111.48 179.674 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 2.0 m -120.04 -61.72 1.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 0.0 111.387 -179.589 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.441 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -49.07 137.74 12.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.552 -179.68 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 4.9 mmt85 -122.49 143.1 49.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -149.45 167.71 25.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.687 179.837 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 16.9 p -96.83 -15.94 21.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.299 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -162.85 179.54 38.05 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.837 -179.721 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 28.1 p -68.15 -40.79 82.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.708 0.29 . . . . 0.0 111.412 -179.731 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -60.91 -46.52 90.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.805 0.335 . . . . 0.0 110.847 -179.719 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.08 -37.65 77.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.899 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -69.07 -35.33 76.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.503 179.458 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -71.77 -40.08 69.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.729 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 16.5 mmtm -64.55 -43.05 95.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.612 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -85.79 -17.71 35.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.979 179.786 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.407 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.86 -45.74 67.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.671 -179.377 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.423 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 0.1 OUTLIER -56.12 -47.47 78.05 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.583 -179.761 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -71.14 -35.88 71.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.51 178.311 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -58.98 -31.11 68.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.436 -178.519 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.423 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -62.78 -10.53 13.26 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.5 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -74.32 -33.28 63.13 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.648 0.261 . . . . 0.0 111.05 179.599 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.0 pp -118.43 0.37 8.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.521 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.8 t . . . . . 0 C--N 1.331 -0.234 0 CA-C-O 120.877 0.37 . . . . 0.0 110.987 -179.821 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 36.3 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.665 0.269 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.622 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 33.7 t -70.59 129.78 40.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.927 0.394 . . . . 0.0 110.882 -179.872 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.451 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.3 m0 -54.73 -19.16 5.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.917 -179.593 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -112.84 -61.53 1.72 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.881 0.372 . . . . 0.0 111.069 -179.727 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.622 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 67.1 m -52.43 -43.02 64.62 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -178.024 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 83.12 -2.03 87.67 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.229 -0.986 . . . . 0.0 112.515 -179.504 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -99.77 -67.88 0.83 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.882 0.373 . . . . 0.0 111.143 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -155.02 145.33 21.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.237 -179.86 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -102.13 -152.15 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 25.0 p 172.91 -57.21 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.888 0.375 . . . . 0.0 110.701 179.702 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -86.96 154.97 20.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.948 -179.808 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 4.8 m -131.88 140.21 49.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.963 -179.695 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 36.2 t -48.75 120.76 4.02 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.06 -15.45 58.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.005 179.751 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.28 -31.47 22.4 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.768 -0.73 . . . . 0.0 113.231 -179.486 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.9 p -126.8 -7.68 6.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 117.301 0.55 . . . . 0.0 111.993 -179.741 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 56.17 26.41 10.25 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.694 0.283 . . . . 0.0 111.351 179.738 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 2.6 m -119.1 -63.35 1.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.839 0.352 . . . . 0.0 111.411 -179.657 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.451 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -49.1 139.88 10.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.401 -179.857 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.95 142.36 51.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.956 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -148.79 170.46 18.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.831 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 17.3 p -96.09 -15.61 22.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.438 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -165.57 -179.09 39.07 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.854 -179.8 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 55.0 p -68.23 -39.95 82.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.584 0.23 . . . . 0.0 111.427 -179.755 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -60.99 -46.62 90.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.75 0.31 . . . . 0.0 110.861 -179.686 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -61.59 -38.87 89.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.963 179.923 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -69.91 -34.23 73.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.424 179.502 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 3.0 m80 -71.79 -39.83 69.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.939 179.845 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -64.46 -42.63 95.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.607 179.878 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -86.57 -17.75 33.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.963 179.808 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.408 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.93 -45.17 67.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.739 -179.41 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.434 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 12.5 tp10 -56.95 -47.78 79.86 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.821 -179.583 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 695' ' ' HIS . 8.9 ptmt -71.3 -35.98 71.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.079 0.466 . . . . 0.0 110.457 178.154 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . 0.412 ' N ' ' HG3' ' A' ' 694' ' ' LYS . 20.9 t60 -59.09 -31.24 68.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.375 -178.631 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.434 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -61.79 -10.8 9.86 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.425 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -74.0 -40.86 62.65 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.709 0.29 . . . . 0.0 110.909 179.629 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.7 pp -106.82 -0.61 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.945 -179.569 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.332 -0.187 0 CA-C-O 120.83 0.348 . . . . 0.0 110.991 -179.825 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.601 0.238 . . . . 0.0 110.711 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.618 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 19.0 t -68.37 129.19 39.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.942 0.401 . . . . 0.0 110.822 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.449 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.0 m0 -56.04 -18.48 9.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.735 -179.64 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -111.69 -62.26 1.58 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.873 0.368 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.618 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 68.1 m -52.97 -42.85 65.91 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -178.129 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.19 -0.78 88.44 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.227 -0.987 . . . . 0.0 112.534 -179.489 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.93 -71.72 0.67 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.867 0.365 . . . . 0.0 111.102 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.81 148.01 23.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.271 -179.816 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -133.52 148.99 51.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.901 179.739 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.5 m -126.86 -30.46 2.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.594 -179.784 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -86.75 149.82 24.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.007 0.432 . . . . 0.0 111.225 -179.515 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 45.6 m -131.89 140.25 49.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.991 -179.8 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 37.9 t -48.68 121.6 4.75 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.176 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.22 -15.32 58.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.018 179.778 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.99 -31.39 20.58 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.727 -0.749 . . . . 0.0 113.25 -179.429 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 30.0 p -127.08 -7.71 5.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 117.335 0.567 . . . . 0.0 112.053 -179.689 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 56.48 26.04 10.42 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.698 0.285 . . . . 0.0 111.279 179.737 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 19.2 m -118.74 -62.78 1.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.278 -179.658 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.449 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -51.58 147.38 6.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.188 -179.9 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -134.67 142.88 46.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.987 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -149.55 166.29 29.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.708 179.908 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 24.9 p -95.62 -15.43 22.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.442 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -161.21 178.38 37.17 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.407 -0.902 . . . . 0.0 112.899 -179.736 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 10.7 m -68.18 -40.48 82.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.664 0.269 . . . . 0.0 111.195 -179.863 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -60.9 -46.43 90.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.696 -179.923 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.99 -39.68 86.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.844 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -69.32 -34.51 74.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.315 179.42 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -71.74 -39.31 70.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.855 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -42.27 95.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.609 179.879 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -87.58 -17.96 30.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.986 179.863 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.411 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.77 -45.29 67.06 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.655 -179.403 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.422 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 0.5 OUTLIER -56.17 -47.32 78.49 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.59 -179.823 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt -71.29 -36.1 71.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.137 0.494 . . . . 0.0 110.536 178.195 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -59.14 -31.19 68.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.481 -178.562 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.422 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -62.69 -10.72 13.55 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -179.625 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 -74.32 -35.76 63.66 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.73 0.3 . . . . 0.0 111.076 179.593 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.1 pp -115.37 -0.46 9.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.336 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.4 t . . . . . 0 C--N 1.33 -0.244 0 CA-C-O 120.902 0.382 . . . . 0.0 110.847 -179.948 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.736 0.303 . . . . 0.0 110.772 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.626 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 22.5 t -70.84 129.45 39.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.832 0.349 . . . . 0.0 110.854 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.451 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.8 m0 -55.99 -18.53 9.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.769 -179.602 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -111.62 -62.62 1.53 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.923 0.392 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.626 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 67.5 m -52.02 -43.12 63.54 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -178.231 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.88 -0.64 88.16 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.243 -0.979 . . . . 0.0 112.614 -179.549 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -98.17 -68.8 0.79 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.817 0.342 . . . . 0.0 111.165 -179.862 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.54 148.17 19.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.287 -179.812 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -134.15 149.83 51.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.937 179.652 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.4 p -126.82 -30.45 2.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.513 -179.7 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -86.79 149.67 24.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.038 0.447 . . . . 0.0 111.291 -179.452 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 53.9 m -131.89 140.21 49.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.973 -179.752 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 39.6 t -48.61 121.32 4.43 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.154 179.894 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.49 -15.17 58.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.063 179.699 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.48 -31.97 20.52 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.771 -0.728 . . . . 0.0 113.233 -179.511 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.8 p -126.26 -7.44 6.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 117.383 0.591 . . . . 0.0 111.92 -179.66 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 56.4 25.9 10.1 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.785 0.326 . . . . 0.0 111.446 179.818 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 7.5 m -118.85 -63.22 1.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.842 0.353 . . . . 0.0 111.298 -179.631 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.451 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -50.89 148.18 4.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.306 -179.838 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -134.69 142.44 46.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.93 -179.877 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -149.53 165.94 30.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.682 179.877 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 25.7 p -95.42 -16.01 22.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.407 -179.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -161.75 178.65 37.54 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.329 -0.938 . . . . 0.0 112.898 -179.721 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 96.5 p -68.14 -40.37 82.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.701 0.286 . . . . 0.0 111.228 -179.806 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -60.86 -46.56 90.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.874 0.369 . . . . 0.0 110.738 -179.84 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.8 -40.7 93.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.767 179.733 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -69.34 -34.53 74.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.375 179.489 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -71.75 -38.56 70.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.909 179.811 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 3.0 mmtm -64.67 -43.39 93.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.641 179.816 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -86.91 -17.68 32.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.065 179.834 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.408 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.7 -45.03 66.7 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.582 -179.408 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.428 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 12.8 tt0 -56.12 -47.42 78.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.874 0.369 . . . . 0.0 110.512 -179.846 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.13 -36.11 71.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.475 178.197 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -59.14 -31.08 68.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.473 -178.59 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.428 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -62.41 -10.77 12.5 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -179.456 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -74.15 -40.8 62.35 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.73 0.3 . . . . 0.0 111.052 179.64 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.4 pt -110.29 -0.47 9.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.464 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 14.1 t . . . . . 0 C--N 1.331 -0.208 0 CA-C-O 120.888 0.375 . . . . 0.0 111.047 -179.716 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 20.4 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.644 0.259 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.627 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 21.5 t -68.2 129.14 39.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.958 0.408 . . . . 0.0 110.757 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.448 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.3 m0 -55.47 -18.27 6.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.787 -179.6 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -112.45 -62.16 1.62 Allowed 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 120.787 0.327 . . . . 0.0 110.811 -179.914 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.627 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 66.3 m -52.66 -43.51 65.57 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -177.98 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.7 -0.78 89.16 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.275 -0.964 . . . . 0.0 112.503 -179.579 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.8 -69.04 0.77 Allowed 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.826 0.346 . . . . 0.0 111.185 -179.853 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -157.92 147.68 20.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.267 -179.786 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -131.81 147.91 52.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.885 179.736 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 67.5 m -125.72 -32.08 2.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.531 -179.801 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.86 149.59 24.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.05 0.453 . . . . 0.0 111.188 -179.469 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 15.2 m -131.93 140.32 48.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.941 -179.763 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 32.9 t -48.7 121.32 4.48 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.209 179.975 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.22 -15.51 58.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.061 179.673 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.7 -31.4 21.38 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.817 -0.706 . . . . 0.0 113.239 -179.423 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 29.4 p -126.62 -7.7 6.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 117.236 0.518 . . . . 0.0 112.053 -179.733 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 56.14 25.94 9.65 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.668 0.27 . . . . 0.0 111.339 179.768 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 43.1 m -118.79 -62.96 1.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.872 0.367 . . . . 0.0 111.391 -179.718 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.448 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -50.32 145.49 6.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.349 -179.868 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 8.8 mmt180 -131.37 141.05 49.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . 0.42 ' CD2' ' HG3' ' A' ' 688' ' ' GLN . 90.7 m-85 -149.46 165.38 32.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.74 179.848 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 25.0 p -94.87 -15.94 23.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.475 -179.893 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -162.74 179.47 37.99 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.384 -0.912 . . . . 0.0 112.915 -179.636 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.22 -39.73 82.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.662 0.268 . . . . 0.0 111.245 -179.865 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . 0.4 ' CE2' ' SG ' ' A' ' 687' ' ' CYS . 44.6 p90 -60.82 -46.63 89.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 110.698 -179.829 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . 0.4 ' SG ' ' CE2' ' A' ' 686' ' ' PHE . 1.8 m -61.45 -41.04 96.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 179.802 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . 0.42 ' HG3' ' CD2' ' A' ' 682' ' ' TYR . 40.1 tt0 -68.56 -35.28 77.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.352 179.486 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -71.74 -39.28 70.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.909 179.851 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -43.14 95.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.0 0.428 . . . . 0.0 110.554 179.846 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . 0.418 ' HB2' ' CE1' ' A' ' 682' ' ' TYR . 4.7 m-20 -86.84 -17.7 32.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.975 179.849 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.41 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.69 -45.22 66.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.626 -179.361 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.414 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 22.3 tt0 -56.17 -47.47 78.2 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.548 -179.81 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -71.21 -36.07 71.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.132 0.492 . . . . 0.0 110.55 178.226 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -59.34 -31.15 68.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.348 -178.513 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.414 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -63.0 -11.55 19.7 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 -179.52 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -74.32 -28.3 61.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.724 0.297 . . . . 0.0 111.172 179.472 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.1 pp -122.06 -0.45 7.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.401 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.33 -0.242 0 CA-C-O 120.865 0.364 . . . . 0.0 110.969 -179.897 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.86 0.362 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.0 165.9 24.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.11 98.75 11.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 61.83 62.6 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 8.3 t -129.2 158.83 37.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.81 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.595 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 19.2 t -70.58 129.21 38.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 110.841 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.452 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 13.0 m0 -55.67 -19.36 10.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.726 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -111.39 -62.83 1.49 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.905 0.383 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.595 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 69.6 m -52.58 -42.78 64.81 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -178.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.74 -0.89 87.65 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.2 -1.0 . . . . 0.0 112.534 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.18 -67.63 0.84 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.83 0.348 . . . . 0.0 111.151 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -159.99 147.89 16.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.233 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -132.89 148.55 52.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.003 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 31.8 m -126.28 -30.65 2.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.603 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -86.65 150.19 24.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.027 0.441 . . . . 0.0 111.168 -179.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 87.8 m -129.82 140.16 51.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.052 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 40.2 t -49.92 122.03 6.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.087 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.07 -15.72 58.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.0 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.68 -32.47 18.59 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.771 -0.728 . . . . 0.0 113.252 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 30.9 p -126.04 -7.41 6.59 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 117.401 0.601 . . . . 0.0 112.057 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 56.03 25.62 9.06 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.727 0.299 . . . . 0.0 111.343 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 55.7 m -118.5 -63.11 1.45 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.826 0.346 . . . . 0.0 111.257 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.452 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -50.33 143.14 9.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.318 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.39 142.64 50.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.8 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . 0.42 ' CD2' ' HG2' ' A' ' 688' ' ' GLN . 92.3 m-85 -149.45 170.04 19.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.937 0.399 . . . . 0.0 110.791 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 25.3 p -99.86 -15.67 18.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.601 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -159.08 175.59 36.01 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.304 -0.95 . . . . 0.0 113.093 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.1 -39.74 82.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.73 0.3 . . . . 0.0 111.154 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -60.9 -46.34 91.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.867 0.365 . . . . 0.0 110.589 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.9 m -57.73 -36.57 72.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.747 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . 0.42 ' HG2' ' CD2' ' A' ' 682' ' ' TYR . 34.5 mt-30 -68.01 -36.52 80.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.433 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 41.9 m170 -71.75 -40.11 69.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.016 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -63.34 -44.16 95.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.566 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.32 -16.75 36.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.088 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.425 ' CZ3' ' HB3' ' A' ' 696' ' ' HIS . 2.9 t-105 -52.71 -44.95 66.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.552 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.495 ' O ' ' CD2' ' A' ' 696' ' ' HIS . 2.4 tp10 -56.14 -47.25 78.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.066 0.46 . . . . 0.0 110.476 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.09 -35.93 72.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.383 178.163 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -59.55 -31.8 69.75 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.288 0.848 . . . . 0.0 113.288 -178.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 693' ' ' GLU . 0.5 OUTLIER -67.77 -9.48 44.44 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.74 -179.189 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 45.0 m-70 -74.55 -30.18 61.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.872 0.367 . . . . 0.0 110.58 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.1 pp -123.46 -0.7 6.33 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.03 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 7.8 t -103.25 146.59 28.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.892 0.377 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 96.71 25.87 11.31 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.452 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -131.21 30.27 4.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.764 0.316 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 29.3 p -118.71 -43.26 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 7.2 tp -103.18 -37.64 7.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 59.58 80.18 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.964 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -119.55 -41.63 2.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.065 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -60.05 -36.82 78.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.774 0.321 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 4.3 m 60.67 33.18 20.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.97 160.92 31.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -124.81 61.06 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.949 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 3.6 m -116.78 138.63 51.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.757 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.608 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 16.3 t -63.54 129.05 38.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.903 0.383 . . . . 0.0 110.752 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.443 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 13.2 m0 -56.64 -18.44 12.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.748 -179.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -111.08 -62.46 1.54 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.859 0.361 . . . . 0.0 110.759 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.608 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 68.8 m -52.96 -44.69 67.31 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -178.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 86.59 -1.53 87.19 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.306 -0.949 . . . . 0.0 112.686 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -98.05 -75.29 0.55 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.93 0.395 . . . . 0.0 111.093 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.98 148.12 28.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.367 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -130.34 146.32 51.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.948 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -123.75 -33.74 3.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.438 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -86.87 151.71 23.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.97 0.414 . . . . 0.0 111.159 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 21.5 m -131.89 140.22 49.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.967 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 37.7 t -48.68 121.51 4.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.177 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 1.9 p -78.14 -15.38 58.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.064 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.4 -32.43 19.58 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.258 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 31.6 p -125.74 -7.21 6.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 117.319 0.559 . . . . 0.0 112.029 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 56.15 25.59 9.25 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.769 0.319 . . . . 0.0 111.38 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 3.2 m -118.62 -62.96 1.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.286 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.443 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -50.76 148.58 3.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.327 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -134.41 144.21 48.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -149.53 166.05 30.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.73 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 26.6 p -95.52 -15.38 22.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.391 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.23 177.23 36.77 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.827 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 1.4 m -68.12 -39.94 82.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.742 0.306 . . . . 0.0 111.177 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -60.96 -46.45 90.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.901 0.382 . . . . 0.0 110.716 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -58.28 -37.4 74.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -67.86 -35.41 78.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.325 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -71.88 -39.08 69.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.941 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -64.15 -44.72 91.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.514 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.08 -17.45 37.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.006 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.418 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.7 t-105 -52.83 -45.83 67.48 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.683 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.404 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 0.0 OUTLIER -56.04 -47.49 77.76 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.636 -179.713 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -71.21 -36.07 71.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.084 0.469 . . . . 0.0 110.546 178.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -59.01 -31.27 68.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.495 -178.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.404 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -63.49 -11.2 21.95 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -179.493 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 -74.5 -27.85 60.73 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.656 0.265 . . . . 0.0 111.104 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.8 pp -126.05 0.4 4.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -179.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.8 t -102.25 148.4 25.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.848 0.356 . . . . 0.0 110.951 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . -95.83 26.83 18.61 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.667 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -112.28 98.58 7.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.884 0.373 . . . . 0.0 110.799 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.11 161.59 41.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.947 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 1.3 tt -93.0 155.67 17.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -87.88 87.26 7.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -84.36 138.09 33.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.42 -47.01 2.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.842 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.966 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.837 0.351 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.1 m -62.6 173.48 1.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 3.8 m -150.63 176.65 10.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -95.0 48.71 1.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.3 m -99.26 152.98 19.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.845 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.623 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 20.0 t -71.84 129.18 37.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.891 0.377 . . . . 0.0 110.892 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.441 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.1 m0 -55.95 -19.1 10.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.735 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -110.93 -62.38 1.55 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.954 0.407 . . . . 0.0 110.913 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.623 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 67.2 m -52.24 -43.73 64.47 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -178.184 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.56 -0.36 89.31 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.281 -0.961 . . . . 0.0 112.651 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -98.99 -71.58 0.69 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.868 0.366 . . . . 0.0 111.084 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.19 146.85 23.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.367 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -134.69 150.5 50.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.036 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 30.1 p -127.19 -29.24 2.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.572 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -86.83 150.04 24.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.098 0.475 . . . . 0.0 111.144 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 26.4 m -131.94 140.27 48.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.974 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 43.4 t -48.77 121.34 4.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.159 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.48 -15.4 58.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.048 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.41 -31.94 20.83 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.688 -0.768 . . . . 0.0 113.194 -179.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 27.3 p -126.39 -7.16 6.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 117.332 0.566 . . . . 0.0 112.022 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 56.27 25.87 9.81 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.726 0.298 . . . . 0.0 111.445 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 59.8 m -118.92 -62.59 1.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.777 0.322 . . . . 0.0 111.312 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.441 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -50.92 149.37 3.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.33 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 2.4 mmt85 -134.4 142.18 47.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.87 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -149.52 165.6 31.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.963 0.411 . . . . 0.0 110.695 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 27.4 p -96.61 -15.83 21.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.484 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.59 177.67 36.91 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.879 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 2.8 m -68.16 -40.24 82.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.686 0.279 . . . . 0.0 111.167 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -60.9 -46.44 90.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.847 0.356 . . . . 0.0 110.699 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.68 -39.47 84.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -69.15 -34.23 74.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.246 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 52.5 m170 -71.83 -38.82 70.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.879 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm -65.83 -40.88 92.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.639 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -88.26 -18.44 28.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.011 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.408 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.76 -45.18 66.95 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.564 -179.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.485 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 1.3 tp10 -56.19 -47.43 78.36 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.512 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -70.96 -35.97 72.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.076 0.465 . . . . 0.0 110.175 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -59.35 -31.38 69.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.509 -178.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.485 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 0.7 OUTLIER -65.7 -10.72 39.02 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -179.32 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -74.53 -30.21 61.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.818 0.342 . . . . 0.0 110.731 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.3 pt -122.12 -0.69 7.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.978 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 6.8 t -106.21 161.32 14.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.842 0.353 . . . . 0.0 111.095 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 124.29 -63.35 0.56 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.451 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -173.76 -41.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.806 0.336 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 16.8 p -119.6 152.9 36.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -83.12 -179.2 7.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.52 110.77 20.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.86 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -107.0 -38.12 6.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.192 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.84 90.45 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.945 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 -179.936 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.816 0.341 . . . . 0.0 110.779 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.6 m -94.67 179.52 5.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 75.4 m -89.33 105.57 17.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -126.71 47.95 2.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.38 142.99 36.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.837 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.626 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 23.6 t -67.59 129.13 38.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.884 0.373 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.444 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 13.9 m0 -55.49 -19.7 10.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.789 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -110.56 -62.01 1.59 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.881 0.372 . . . . 0.0 110.927 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.626 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 66.7 m -52.65 -42.09 64.38 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -178.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.44 -0.73 88.83 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.235 -0.983 . . . . 0.0 112.619 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -103.02 -70.03 0.77 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.845 0.355 . . . . 0.0 111.198 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.4 143.16 24.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.296 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -101.9 -151.32 0.42 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.843 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 9.6 t 172.45 -57.5 0.01 OUTLIER 'General case' 0 N--CA 1.461 0.11 0 CA-C-O 120.835 0.35 . . . . 0.0 110.844 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -86.89 155.95 20.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.927 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 26.8 m -131.5 140.22 49.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.085 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 18.5 t -48.88 121.18 4.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.193 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 10.5 t -77.86 -15.71 58.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.059 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.62 -30.89 22.99 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.715 -0.755 . . . . 0.0 113.224 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 31.7 p -126.65 -8.08 6.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 117.219 0.51 . . . . 0.0 112.02 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 55.86 25.92 9.1 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.66 0.267 . . . . 0.0 111.389 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 10.8 m -119.25 -62.85 1.46 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.844 0.354 . . . . 0.0 111.415 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.444 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -48.76 138.63 10.79 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.488 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -124.66 143.09 50.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.001 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . 0.425 ' CE1' ' HB2' ' A' ' 691' ' ' ASP . 95.3 m-85 -149.46 170.06 19.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.779 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 17.0 p -98.25 -15.94 19.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.352 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -162.92 179.31 38.25 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.43 -0.891 . . . . 0.0 112.807 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 1.1 m -68.23 -41.05 81.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.626 0.25 . . . . 0.0 111.391 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -60.97 -46.52 90.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.849 0.357 . . . . 0.0 110.778 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.53 -37.67 79.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.835 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . 0.411 ' HG3' ' CE2' ' A' ' 682' ' ' TYR . 8.9 tt0 -69.93 -34.58 73.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.445 179.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.68 -40.05 69.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -63.73 -44.28 94.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.7 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . 0.425 ' HB2' ' CE1' ' A' ' 682' ' ' TYR . 1.2 m-20 -85.75 -16.99 37.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.085 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.408 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 3.0 t-105 -52.89 -44.75 67.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.729 -179.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.419 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 1.1 tt0 -57.7 -47.84 81.24 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.984 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -71.53 -35.99 70.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.053 0.454 . . . . 0.0 110.499 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 22.2 t60 -59.17 -31.17 68.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.343 -178.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.419 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -62.52 -10.94 13.53 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -179.486 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -74.28 -25.84 59.84 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.646 0.26 . . . . 0.0 111.116 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.7 pp -122.68 -0.11 6.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 3.1 t -99.8 153.92 18.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.818 0.342 . . . . 0.0 110.916 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . -88.08 52.25 4.1 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.609 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -93.94 81.99 4.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.842 0.353 . . . . 0.0 110.798 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.58 160.24 5.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.961 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 9.8 tt -83.5 -49.05 9.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.63 122.43 27.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.923 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -109.24 -167.55 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.57 36.78 1.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.898 0.38 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 37.7 t -137.81 92.98 2.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 21.9 m -161.42 106.22 1.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -107.12 47.61 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -102.82 147.22 27.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.81 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.612 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 18.9 t -69.72 129.11 38.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.441 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.4 m0 -55.82 -18.9 9.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.789 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -111.36 -62.51 1.54 Allowed 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.879 0.371 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.612 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 68.4 m -52.8 -42.92 65.53 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -178.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.58 -0.23 88.31 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.239 -0.981 . . . . 0.0 112.604 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.43 -70.73 0.71 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.892 0.377 . . . . 0.0 111.107 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -156.89 147.23 21.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.212 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -132.84 148.88 52.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.036 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 66.2 m -126.24 -30.88 2.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.561 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -86.73 150.37 24.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.02 0.438 . . . . 0.0 111.249 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 21.3 m -132.0 140.35 48.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.885 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 45.3 t -48.6 121.43 4.54 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.196 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 16.4 m -78.33 -15.37 58.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.049 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.5 -31.76 21.03 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.833 -0.699 . . . . 0.0 113.262 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 27.9 p -126.69 -7.33 6.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 117.372 0.586 . . . . 0.0 112.029 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 4.1 m120 56.33 25.89 9.96 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.704 0.287 . . . . 0.0 111.368 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 3.0 m -118.67 -63.25 1.43 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.339 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.441 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -51.15 148.42 4.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.234 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -134.65 143.0 47.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.943 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -149.5 166.93 27.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.983 0.421 . . . . 0.0 110.686 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 27.7 p -96.78 -15.62 21.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.331 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.41 177.47 36.83 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.371 -0.918 . . . . 0.0 112.859 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.14 -40.47 82.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.726 0.298 . . . . 0.0 111.285 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 38.0 p90 -60.85 -46.45 90.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.725 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.86 -37.5 76.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.809 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -72.21 -31.81 66.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.476 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -71.91 -41.39 67.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -34.38 77.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.828 0.346 . . . . 0.0 110.77 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.48 -20.48 21.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.906 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.408 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.79 -44.61 66.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.611 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.48 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 2.7 mm-40 -56.47 -47.46 79.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.009 0.433 . . . . 0.0 110.472 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt -70.89 -36.09 72.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.107 0.479 . . . . 0.0 110.248 178.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -59.42 -31.37 69.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.526 -178.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.48 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 0.7 OUTLIER -65.54 -10.24 33.24 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.405 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -74.53 -30.12 61.65 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.797 0.332 . . . . 0.0 110.857 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.2 pp -122.13 -0.59 7.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.277 -0.42 . . . . 0.0 112.085 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.6 t -104.75 158.59 16.41 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.821 0.343 . . . . 0.0 111.069 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 128.03 -28.34 4.38 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.531 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -59.61 100.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.836 0.35 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 3.1 t -115.46 84.58 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 2.0 tp -147.45 91.93 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.58 163.43 18.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.808 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -118.13 99.03 6.61 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.095 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -157.94 -45.91 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.823 179.947 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.874 0.369 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.57 171.26 20.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 6.0 t -161.99 -44.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -97.48 47.24 1.02 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.935 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 19.0 m -93.82 146.78 23.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.779 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.622 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 23.4 t -68.82 129.17 39.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.843 0.354 . . . . 0.0 110.92 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.444 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.6 m0 -55.01 -19.62 7.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.835 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -111.32 -61.71 1.66 Allowed 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.835 0.35 . . . . 0.0 111.061 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.622 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 67.0 m -52.73 -42.67 65.1 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -178.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.12 -0.68 88.44 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.209 -0.996 . . . . 0.0 112.6 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 3.6 ttm-85 -102.29 -69.14 0.8 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.859 0.361 . . . . 0.0 111.077 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -152.13 143.17 23.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.235 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -101.98 -151.59 0.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.1 m 172.42 -57.26 0.01 OUTLIER 'General case' 0 C--N 1.334 -0.071 0 CA-C-O 120.834 0.349 . . . . 0.0 110.841 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -86.96 154.71 20.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.97 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 59.9 m -131.42 140.22 49.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.976 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 48.6 t -49.11 120.88 4.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 65.9 p -78.23 -15.21 59.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.13 -31.74 22.18 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.767 -0.73 . . . . 0.0 113.243 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.5 p -126.54 -7.51 6.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 117.321 0.561 . . . . 0.0 111.973 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 3.1 m120 55.9 26.3 9.6 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.686 0.279 . . . . 0.0 111.484 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 21.6 m -119.13 -63.1 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.289 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.444 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -49.26 139.99 10.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.327 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -128.59 140.87 51.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.018 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -147.09 171.18 15.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.695 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 17.5 p -97.92 -15.77 20.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.365 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -162.63 179.33 37.98 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.489 -0.862 . . . . 0.0 112.862 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 10.7 t -68.22 -41.37 81.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.693 0.282 . . . . 0.0 111.343 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -60.85 -46.53 90.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.761 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.7 -38.42 81.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.825 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -69.77 -34.44 73.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.385 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -71.77 -39.4 69.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -41.81 95.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.577 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -87.54 -17.9 30.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.009 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.406 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.86 -45.61 67.48 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.612 -179.292 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.482 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 3.0 mt-10 -56.09 -47.43 78.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.972 0.415 . . . . 0.0 110.569 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -70.81 -35.85 72.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.195 0.522 . . . . 0.0 110.156 178.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -59.31 -31.31 69.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.534 -178.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.482 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 0.7 OUTLIER -65.34 -10.4 32.59 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -179.374 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 44.3 m-70 -74.36 -29.49 61.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.778 0.323 . . . . 0.0 110.694 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.1 pt -120.17 -0.35 7.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.948 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.6 t -102.89 160.27 14.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.907 0.384 . . . . 0.0 111.048 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . -123.6 63.89 0.54 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.502 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -98.77 30.61 3.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.358 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 3.2 t -87.49 -31.58 19.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.35 90.71 3.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -136.88 31.56 2.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -101.66 31.14 3.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.153 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -137.8 -67.94 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.977 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.8 0.333 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.98 151.07 41.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 2.2 t -118.45 89.18 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.946 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 62.14 47.02 5.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 9.3 m -97.13 153.77 17.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.808 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.616 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 21.4 t -71.44 128.95 37.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.883 0.373 . . . . 0.0 110.778 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.442 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.0 m0 -55.64 -19.33 10.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.795 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -110.71 -62.19 1.57 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.852 0.358 . . . . 0.0 110.95 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.616 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 67.4 m -52.98 -42.89 65.98 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -178.018 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.13 -0.9 88.22 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.252 -0.975 . . . . 0.0 112.483 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 4.7 ttm-85 -98.77 -68.59 0.8 Allowed 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.781 0.324 . . . . 0.0 111.151 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.25 147.85 19.66 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.297 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -134.35 149.92 50.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.89 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 4.6 p -126.76 -31.27 2.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.657 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -86.81 149.67 24.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.013 0.435 . . . . 0.0 111.268 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 7.0 m -131.93 140.38 49.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.016 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 27.1 t -48.42 121.5 4.51 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.142 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.18 -15.46 58.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.069 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.38 -31.26 22.69 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 120.722 -0.751 . . . . 0.0 113.185 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 31.2 p -126.16 -7.67 6.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 117.216 0.508 . . . . 0.0 111.927 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 55.68 25.32 8.05 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.744 0.307 . . . . 0.0 111.358 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 1.5 m -118.25 -63.4 1.42 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.205 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.442 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -49.78 146.88 4.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.12 141.96 48.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.006 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -149.45 166.56 28.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.679 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 25.9 p -96.45 -15.49 21.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.546 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.49 177.76 36.79 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.925 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 40.3 t -68.19 -40.5 82.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.705 0.288 . . . . 0.0 111.153 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -60.96 -46.49 90.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.667 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.63 -39.72 85.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.742 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -69.42 -34.28 74.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.327 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -71.75 -39.89 69.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.92 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -64.13 -42.68 96.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.935 0.398 . . . . 0.0 110.599 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.97 -17.97 31.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.029 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.422 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -53.03 -46.01 68.26 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.482 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 0.1 OUTLIER -56.84 -48.07 78.9 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.89 -179.416 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.44 -36.01 71.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.188 0.518 . . . . 0.0 110.335 178.149 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -59.57 -31.36 69.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.592 -178.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.482 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 0.7 OUTLIER -64.33 -9.34 17.13 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.298 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -74.35 -26.57 60.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.679 0.275 . . . . 0.0 110.939 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.2 pp -122.12 -0.29 6.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 2.8 t -96.78 143.7 27.45 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.858 0.361 . . . . 0.0 110.846 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . -88.12 57.13 4.3 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.727 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -81.01 159.92 24.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.771 0.32 . . . . 0.0 110.838 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 44.5 m -80.26 128.06 33.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.786 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -159.31 -51.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -139.31 32.98 2.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -101.51 -178.12 3.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.067 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 60.77 163.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.823 -179.939 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 6.7 t0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.869 0.366 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.4 m 60.13 -176.92 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 24.4 m -113.91 79.53 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -127.14 47.72 2.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 48.3 m -124.91 137.67 54.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.741 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.614 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 20.4 t -69.21 129.16 39.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.951 0.405 . . . . 0.0 110.907 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.437 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.2 m0 -55.48 -18.86 7.95 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.817 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -111.83 -62.05 1.62 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.848 0.356 . . . . 0.0 110.972 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.614 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 68.2 m -52.92 -42.6 65.55 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -178.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.72 -0.42 88.23 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.301 -0.952 . . . . 0.0 112.578 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.29 -69.98 0.76 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.891 0.377 . . . . 0.0 111.132 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -152.29 143.37 23.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.17 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -103.91 -149.53 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 4.6 p 169.35 -53.92 0.01 OUTLIER 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.836 0.35 . . . . 0.0 110.725 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -86.93 154.91 20.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.985 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 46.8 m -131.92 140.22 48.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.988 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 43.9 t -49.0 121.21 4.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.2 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.1 -15.49 58.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 179.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.41 -31.81 21.16 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.806 -0.711 . . . . 0.0 113.305 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 26.9 p -126.55 -7.53 6.29 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 117.269 0.535 . . . . 0.0 112.009 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 6.4 m120 56.17 26.15 9.94 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.717 0.294 . . . . 0.0 111.419 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 2.2 m -119.1 -63.08 1.44 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.882 0.372 . . . . 0.0 111.404 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.437 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -49.74 143.93 6.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.337 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -131.21 143.52 50.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . 0.403 ' CE2' ' HB2' ' A' ' 680' ' ' ALA . 27.6 m-85 -149.45 168.42 23.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.742 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 18.8 p -95.7 -15.72 22.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.459 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -163.24 180.0 38.06 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.487 -0.864 . . . . 0.0 112.849 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.3 -40.42 81.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.653 0.263 . . . . 0.0 111.278 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -60.94 -46.57 90.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.822 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.13 -39.15 85.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.835 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . 0.4 ' HG3' ' CE2' ' A' ' 682' ' ' TYR . 45.6 tt0 -68.32 -35.5 77.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.383 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -71.72 -39.32 70.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.903 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -65.62 -41.25 92.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.571 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -87.29 -18.3 30.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.935 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.407 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.83 -45.44 67.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.684 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.475 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 42.3 mt-10 -56.14 -47.51 78.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.947 0.403 . . . . 0.0 110.538 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -70.84 -35.95 72.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.164 0.507 . . . . 0.0 110.132 178.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -59.28 -31.32 69.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.555 -178.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.475 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 0.7 OUTLIER -65.2 -10.21 29.68 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -179.407 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 42.4 m-70 -74.4 -30.2 61.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.858 0.361 . . . . 0.0 110.763 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.1 pt -121.43 -0.25 7.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.908 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 11.9 t -108.84 159.69 16.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.785 0.326 . . . . 0.0 111.12 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 127.44 -60.02 0.67 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -117.77 98.25 6.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.813 0.34 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.69 151.11 24.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 40.8 mt -87.97 100.44 12.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -126.35 177.35 6.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.822 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . 59.71 30.66 20.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 59.8 104.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.949 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.845 0.355 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 31.1 p -132.19 96.5 3.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 7.5 t -74.03 105.9 5.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.82 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -90.86 51.1 1.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.4 m -102.62 154.07 19.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.623 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 34.1 t -69.9 129.76 40.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.885 0.374 . . . . 0.0 110.843 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.45 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.5 m0 -54.72 -19.2 5.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.957 -179.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -112.62 -61.79 1.68 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.917 0.389 . . . . 0.0 111.051 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.623 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 67.5 m -52.32 -43.2 64.41 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -177.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 83.37 -2.12 87.65 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.194 -1.003 . . . . 0.0 112.542 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.28 -69.5 0.76 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.839 0.352 . . . . 0.0 111.138 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -153.52 144.69 22.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -102.33 -151.08 0.42 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.796 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 9.8 p 170.47 -55.57 0.01 OUTLIER 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.924 0.393 . . . . 0.0 110.789 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -86.91 152.97 21.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.005 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 3.9 m -130.51 140.23 50.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.155 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 16.0 t -48.76 120.88 4.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.149 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.11 -15.57 58.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.01 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -86.27 -30.49 22.24 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.766 -0.73 . . . . 0.0 113.233 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.2 p -127.16 -8.37 5.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 117.234 0.517 . . . . 0.0 112.037 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 16.8 m120 56.3 25.94 9.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.758 0.313 . . . . 0.0 111.451 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 59.4 m -119.0 -63.85 1.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.36 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.45 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -48.65 138.56 10.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.364 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.37 140.45 52.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . 0.415 ' CE1' ' HB2' ' A' ' 691' ' ' ASP . 81.4 m-85 -147.15 170.59 16.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.002 0.429 . . . . 0.0 110.772 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 16.6 p -96.64 -15.73 21.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.523 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -165.33 -179.03 38.91 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.453 -0.88 . . . . 0.0 112.9 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.1 -40.31 82.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.658 0.266 . . . . 0.0 111.447 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -61.0 -46.59 90.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.792 0.33 . . . . 0.0 110.77 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -61.7 -39.3 90.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.826 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -68.39 -35.47 77.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.325 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.8 -39.62 69.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -63.78 -43.89 95.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.552 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . 0.415 ' HB2' ' CE1' ' A' ' 682' ' ' TYR . 3.7 m-20 -85.91 -17.3 35.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.98 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.409 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.91 -45.41 67.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.706 -179.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.43 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 1.6 tm-20 -57.28 -47.82 80.47 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.651 -0.419 . . . . 0.0 111.014 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.55 -35.94 70.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.165 0.507 . . . . 0.0 110.495 178.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -59.11 -31.12 68.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.33 -178.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.43 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -62.28 -10.56 11.34 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -179.524 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -74.19 -29.99 62.0 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.733 0.302 . . . . 0.0 110.973 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.4 pt -119.96 -0.19 7.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 39.1 t -114.13 157.92 21.97 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.868 0.366 . . . . 0.0 110.967 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 103.36 17.45 17.64 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.605 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -102.2 34.81 2.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.774 0.321 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 24.7 m -141.31 -69.37 0.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 67.64 -69.89 0.13 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -153.46 134.12 13.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -105.79 42.91 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.118 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -157.02 -67.23 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.957 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 4.2 t70 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.797 0.332 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 44.7 m -94.26 122.86 37.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 78.4 p -88.49 79.41 7.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.053 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -136.79 47.24 2.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 2.3 m -107.36 165.02 11.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.826 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.572 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 20.5 t -71.71 129.31 38.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.866 0.365 . . . . 0.0 110.951 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.437 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.0 m0 -55.4 -19.94 10.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.794 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -111.25 -62.3 1.57 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.917 0.389 . . . . 0.0 110.955 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.572 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 84.6 m -53.47 -42.41 67.18 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -177.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.53 -1.83 86.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.189 -1.005 . . . . 0.0 112.7 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.36 -69.78 0.75 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.842 0.353 . . . . 0.0 111.064 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -153.08 143.93 22.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.094 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -101.96 -151.24 0.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 8.5 t 171.62 -56.69 0.01 OUTLIER 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.891 0.377 . . . . 0.0 110.816 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -86.97 155.03 20.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.932 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 38.2 m -131.22 140.34 49.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.089 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 40.6 t -49.08 121.53 4.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.209 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.47 -15.19 58.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.6 -31.24 22.1 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.753 -0.736 . . . . 0.0 113.19 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 30.1 p -126.82 -7.57 6.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 117.28 0.54 . . . . 0.0 111.978 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 55.92 25.94 9.22 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.587 0.232 . . . . 0.0 111.426 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 5.9 m -118.8 -62.83 1.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.278 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.437 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -48.56 140.73 7.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.377 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -129.0 142.01 51.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . 0.436 ' CE1' ' HB2' ' A' ' 691' ' ' ASP . 90.9 m-85 -149.41 171.82 15.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.96 0.41 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 17.7 p -99.05 -16.12 18.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.556 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.82 169.75 36.56 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.31 -0.948 . . . . 0.0 112.936 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 79.4 p -61.26 -39.82 91.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.682 0.277 . . . . 0.0 111.257 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -60.92 -46.51 90.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.875 0.369 . . . . 0.0 110.596 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -57.89 -36.61 72.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.766 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . 0.435 ' HG2' ' CD2' ' A' ' 682' ' ' TYR . 4.3 mt-30 -67.23 -36.87 82.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.496 179.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -71.72 -39.93 69.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.228 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -46.19 90.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.926 0.393 . . . . 0.0 110.698 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . 0.436 ' HB2' ' CE1' ' A' ' 682' ' ' TYR . 12.1 m-20 -85.92 -16.1 39.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.251 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.409 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.74 -45.51 67.05 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.629 -179.262 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.478 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 4.4 mp0 -56.17 -47.42 78.29 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.661 -0.415 . . . . 0.0 110.508 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 11.4 mtpt -71.03 -35.96 72.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.058 0.456 . . . . 0.0 110.27 178.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -59.24 -31.39 69.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.557 -178.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.478 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 0.7 OUTLIER -65.04 -10.15 27.71 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.32 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 -74.46 -28.68 61.14 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.709 0.29 . . . . 0.0 110.882 179.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.2 pp -122.14 -0.34 6.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.6 t -101.21 145.96 28.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.846 0.355 . . . . 0.0 110.952 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 107.27 -28.37 12.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.469 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -114.36 112.45 23.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.862 0.363 . . . . 0.0 110.792 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 2.6 t -135.41 101.72 4.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 3.6 pp -66.23 -179.95 0.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -127.92 88.27 2.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -165.58 68.03 0.13 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.141 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -156.94 81.75 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.852 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.759 0.314 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.2 t -79.56 -34.84 40.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 73.1 p -110.95 152.87 26.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 60.77 48.11 7.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 6.7 m -121.45 144.25 48.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.803 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.631 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 24.9 t -70.49 129.14 38.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.876 0.369 . . . . 0.0 110.925 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.446 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.1 m0 -55.13 -19.37 7.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.867 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -111.52 -61.64 1.67 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.865 0.364 . . . . 0.0 111.056 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.631 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 64.4 m -52.24 -44.97 65.14 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -177.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 86.48 -2.44 87.4 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 120.196 -1.002 . . . . 0.0 112.631 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -100.73 -75.47 0.58 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.863 0.363 . . . . 0.0 111.028 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 7.6 tptt -146.09 144.77 30.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.405 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -102.07 -151.79 0.43 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.884 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 18.9 p 172.69 -56.7 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 120.937 0.398 . . . . 0.0 110.756 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -87.0 155.02 20.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.02 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 63.4 m -131.94 140.24 48.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.873 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 20.1 t -49.32 120.96 4.45 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.166 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.05 -15.54 58.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.983 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -86.03 -30.53 22.76 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.257 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 29.7 p -127.32 -8.36 5.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 117.3 0.55 . . . . 0.0 111.996 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 56.25 26.34 10.32 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.658 0.266 . . . . 0.0 111.417 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 1.2 m -119.6 -62.76 1.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.386 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.446 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -49.63 139.04 13.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.404 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -126.11 143.08 51.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . 0.417 ' CE1' ' HB2' ' A' ' 691' ' ' ASP . 92.8 m-85 -149.47 169.83 19.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.964 0.411 . . . . 0.0 110.715 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 17.1 p -96.98 -16.26 20.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.339 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -164.26 -179.56 38.52 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.846 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 26.4 m -68.23 -40.34 82.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.643 0.259 . . . . 0.0 111.474 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -60.93 -46.68 89.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.881 0.372 . . . . 0.0 110.835 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.97 -39.18 88.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -69.82 -34.34 73.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.41 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.72 -40.2 69.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.873 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -64.37 -42.25 96.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.563 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . 0.417 ' HB2' ' CE1' ' A' ' 682' ' ' TYR . 0.7 OUTLIER -86.81 -17.66 32.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.932 179.771 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.408 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.89 -45.0 67.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.606 -179.355 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.427 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 1.5 mt-10 -57.45 -47.76 80.95 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.839 -179.509 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.36 -35.9 71.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.201 0.524 . . . . 0.0 110.495 178.331 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -59.06 -31.13 68.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.24 -178.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.427 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -62.62 -10.49 12.46 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -179.652 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 -74.12 -30.63 62.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.771 0.32 . . . . 0.0 110.98 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.2 pp -118.86 -0.13 8.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.896 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.3 t -102.23 163.41 12.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.875 0.369 . . . . 0.0 111.038 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . -119.96 39.56 2.44 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.84 96.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 110.844 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 63.0 p -136.69 161.17 36.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 4.8 tt -68.37 157.85 34.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.94 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -136.79 163.18 31.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -150.61 97.8 2.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -133.4 105.07 6.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.819 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.824 0.345 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.18 -48.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 34.4 m -145.7 108.2 4.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -96.14 46.98 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 57.8 m -127.55 158.11 38.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.771 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.625 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 28.9 t -69.18 129.28 39.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.841 0.353 . . . . 0.0 110.877 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.451 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.7 m0 -54.98 -18.87 5.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.865 -179.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -112.46 -62.06 1.63 Allowed 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 120.871 0.367 . . . . 0.0 110.986 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.625 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 66.5 m -52.01 -43.11 63.51 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -178.059 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 83.21 -1.44 88.69 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.247 -0.977 . . . . 0.0 112.57 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.31 -72.07 0.69 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.861 0.362 . . . . 0.0 111.143 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -149.35 143.98 26.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.186 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -101.99 -151.86 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.92 -57.47 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.882 0.373 . . . . 0.0 110.842 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -86.96 155.31 20.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.99 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 17.7 m -131.89 140.29 49.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.869 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 49.2 t -49.06 120.76 4.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.125 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.23 -15.26 58.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.069 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.24 -31.79 21.74 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.717 -0.754 . . . . 0.0 113.172 -179.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 26.8 p -126.38 -7.41 6.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 117.298 0.549 . . . . 0.0 112.01 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 56.06 26.18 9.77 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.778 0.323 . . . . 0.0 111.462 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 31.4 m -119.11 -63.37 1.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.369 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.451 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -49.07 140.78 8.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.462 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -128.14 142.53 51.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.001 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -148.98 169.64 20.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.96 0.41 . . . . 0.0 110.728 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 17.5 p -96.54 -15.59 21.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.397 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -164.5 -179.43 38.61 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.896 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.33 -40.47 81.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.569 0.223 . . . . 0.0 111.299 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -60.86 -46.77 89.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.768 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.98 -38.94 87.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -68.46 -35.23 77.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.417 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -71.88 -39.57 69.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.837 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -64.82 -42.2 95.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.643 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.88 -18.0 31.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.977 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.41 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.73 -45.44 66.98 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.654 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.476 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 0.6 OUTLIER -56.17 -47.35 78.43 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.553 -179.882 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -70.87 -35.81 72.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.129 0.49 . . . . 0.0 110.165 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -59.12 -31.3 68.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.538 -0.756 . . . . 0.0 112.572 -178.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.476 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 0.7 OUTLIER -65.05 -10.2 28.23 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -179.352 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -74.37 -29.05 61.39 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.783 0.325 . . . . 0.0 110.816 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.3 pt -121.48 0.06 7.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.973 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.8 t -104.74 161.98 13.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.828 0.347 . . . . 0.0 111.106 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 113.11 -51.95 0.67 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.553 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.39 99.04 10.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.774 0.321 . . . . 0.0 110.958 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -145.08 -68.97 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 2.7 mp -147.15 75.21 1.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -170.45 34.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -163.59 141.17 7.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.017 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -164.85 153.09 12.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 179.89 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.837 0.351 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 98.5 p -134.07 176.11 8.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.71 -44.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.96 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -138.88 63.31 1.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.06 146.82 46.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.61 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 20.4 t -68.97 129.24 39.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.929 0.395 . . . . 0.0 110.823 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.45 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.2 m0 -55.66 -19.11 9.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.793 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -111.3 -62.25 1.57 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 120.818 0.342 . . . . 0.0 110.841 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.61 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 68.9 m -53.14 -42.67 66.31 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -177.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.75 -0.49 88.18 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.268 -0.967 . . . . 0.0 112.589 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.14 -71.19 0.69 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.877 0.37 . . . . 0.0 111.122 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -156.43 147.56 22.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.254 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -133.24 149.03 52.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.93 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.5 m -126.48 -30.62 2.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.643 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -86.84 150.48 24.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.009 0.433 . . . . 0.0 111.258 -179.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 4.1 m -131.92 140.25 48.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.001 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 41.4 t -48.85 121.54 4.78 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.154 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 6.1 p -78.21 -15.48 58.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.013 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.62 -31.78 20.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.732 . . . . 0.0 113.286 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.4 p -126.7 -7.6 6.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 117.3 0.55 . . . . 0.0 112.03 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 5.2 m120 56.43 25.95 10.21 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.656 0.265 . . . . 0.0 111.359 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 59.3 m -118.73 -62.91 1.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.841 0.353 . . . . 0.0 111.234 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.45 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -50.93 147.73 4.79 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.203 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.57 142.75 47.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -149.46 166.67 28.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.65 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 27.2 p -96.19 -15.57 21.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.414 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.56 177.83 36.82 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.45 -0.881 . . . . 0.0 112.918 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 2.5 m -68.11 -40.47 82.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.68 0.276 . . . . 0.0 111.202 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -60.94 -46.41 90.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.816 0.341 . . . . 0.0 110.73 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.29 -39.32 82.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.812 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -70.36 -33.54 71.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.449 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -39.32 69.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -66.24 -39.71 89.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.691 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -88.61 -18.8 27.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.974 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.405 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.69 -45.41 66.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.704 -179.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.48 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 31.4 mt-10 -56.42 -47.49 78.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.966 0.412 . . . . 0.0 110.58 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.93 -36.01 72.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.241 0.544 . . . . 0.0 110.301 178.121 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . 0.418 ' CE1' HD11 ' A' ' 698' ' ' ILE . 6.4 t60 -59.28 -31.41 69.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.399 -0.819 . . . . 0.0 112.532 -178.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.48 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 0.7 OUTLIER -65.16 -9.93 27.09 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.239 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -74.54 -29.76 61.5 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.763 0.316 . . . . 0.0 110.803 179.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . 0.418 HD11 ' CE1' ' A' ' 695' ' ' HIS . 2.3 pp -121.62 -0.45 7.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.6 t -103.06 155.41 18.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.82 0.343 . . . . 0.0 111.054 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . -71.34 -26.93 72.48 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.571 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -59.54 136.67 58.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.04 179.82 8.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.36 -55.97 22.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -143.69 -47.39 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -68.66 -177.81 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.991 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -153.72 146.09 23.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.829 -179.929 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 3.4 t0 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.784 0.326 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 2.3 p -134.77 116.24 14.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.43 88.86 1.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.973 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -130.99 61.33 1.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 22.1 t -122.81 154.77 37.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.779 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.596 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 19.7 t -72.82 129.05 37.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.439 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.4 m0 -55.45 -19.18 8.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.683 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -111.77 -62.15 1.6 Allowed 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 120.85 0.357 . . . . 0.0 110.984 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.596 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 68.1 m -52.69 -42.59 64.93 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -177.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.63 -1.51 87.78 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.205 -0.998 . . . . 0.0 112.526 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.06 -69.43 0.77 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.836 0.351 . . . . 0.0 111.046 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.32 144.42 22.97 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.194 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . 0.414 ' O ' ' HB3' ' A' ' 671' ' ' SER . . . -99.58 -154.77 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.941 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 671' ' ' SER . . . . . 0.414 ' HB3' ' O ' ' A' ' 670' ' ' ALA . 5.1 p 176.84 -58.95 0.01 OUTLIER 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.845 0.355 . . . . 0.0 110.648 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . 0.405 ' N ' ' OG ' ' A' ' 671' ' ' SER . 6.8 mm-40 -87.19 157.8 19.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.972 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 13.0 m -131.86 140.15 49.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.931 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 44.1 t -49.41 121.08 4.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.112 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 1.7 t -78.3 -15.35 58.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.052 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.38 -31.87 21.08 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 113.211 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 26.9 p -126.6 -7.57 6.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 117.365 0.583 . . . . 0.0 112.054 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 53.9 m-20 56.06 26.24 9.85 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.724 0.297 . . . . 0.0 111.499 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 57.4 m -119.64 -62.31 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.852 0.358 . . . . 0.0 111.439 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.439 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -49.48 139.32 12.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.409 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -125.53 143.45 51.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . 0.416 ' CE1' ' HB2' ' A' ' 691' ' ' ASP . 79.1 m-85 -149.33 168.74 22.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.66 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 17.3 p -96.84 -15.71 21.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.307 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -162.24 179.11 37.77 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.81 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.22 -41.11 81.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.68 0.276 . . . . 0.0 111.385 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -60.95 -46.5 90.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.815 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -58.55 -37.18 75.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -68.87 -35.07 76.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.367 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -71.8 -39.78 69.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -65.25 -41.81 93.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.598 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . 0.416 ' HB2' ' CE1' ' A' ' 682' ' ' TYR . 1.3 m-20 -86.73 -17.96 32.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.996 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.405 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.81 -45.45 67.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.542 -179.364 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.473 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 1.7 mt-10 -56.13 -47.38 78.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.948 0.404 . . . . 0.0 110.527 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.82 -35.77 72.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.138 0.494 . . . . 0.0 110.162 178.227 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -59.23 -31.28 68.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.563 -178.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.473 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 0.7 OUTLIER -65.27 -10.35 31.49 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.322 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 -74.55 -27.94 60.73 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.764 0.316 . . . . 0.0 110.731 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.8 pp -124.46 0.01 5.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.996 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 9.1 t -107.57 160.13 15.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.814 0.34 . . . . 0.0 111.063 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . -109.01 28.27 11.44 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.495 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -69.89 137.35 51.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 1.5 m -162.68 -43.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 1.4 mp 63.5 140.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -152.23 -174.08 4.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -68.15 -31.45 71.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.066 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 11.4 mp0 -95.63 167.52 11.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.946 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.969 -179.949 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.779 0.323 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -111.02 136.71 49.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 1.1 m -87.0 120.6 28.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 60.47 59.94 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 2.3 t -94.44 146.55 24.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.724 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.589 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 17.1 t -70.75 129.25 38.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.919 0.39 . . . . 0.0 110.97 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.437 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 13.6 m0 -56.2 -18.97 11.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.742 -179.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -111.49 -62.42 1.55 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.79 0.329 . . . . 0.0 110.919 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.589 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 71.1 m -52.85 -42.45 65.21 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -178.048 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.69 -1.23 88.5 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.272 -0.966 . . . . 0.0 112.696 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.37 -69.15 0.78 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.844 0.355 . . . . 0.0 111.19 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -153.3 144.34 22.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.196 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -101.25 -151.86 0.42 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.994 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.2 m 172.48 -56.82 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 120.884 0.373 . . . . 0.0 110.709 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -86.96 155.93 19.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.928 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 27.1 m -129.69 140.26 51.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.015 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 32.9 t -49.75 121.72 5.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.037 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.91 -15.75 58.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.062 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.4 -31.76 21.33 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 113.204 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 31.7 p -126.34 -7.82 6.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 117.3 0.55 . . . . 0.0 111.986 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 5.4 m120 55.95 25.98 9.33 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.629 0.252 . . . . 0.0 111.392 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 57.7 m -119.75 -62.18 1.52 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.789 0.328 . . . . 0.0 111.404 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.437 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -49.05 138.35 11.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.515 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.79 143.45 49.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . 0.456 ' CD2' ' CG ' ' A' ' 688' ' ' GLN . 84.3 m-85 -149.49 168.8 22.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.371 . . . . 0.0 110.727 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 17.6 p -97.34 -15.69 20.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.536 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -163.03 179.1 38.47 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.373 -0.917 . . . . 0.0 113.024 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 30.8 p -68.17 -39.94 82.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.636 0.255 . . . . 0.0 111.352 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -60.88 -46.61 89.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.837 0.351 . . . . 0.0 110.659 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.68 -36.69 74.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . 0.456 ' CG ' ' CD2' ' A' ' 682' ' ' TYR . 22.0 mt-30 -65.72 -38.18 88.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.472 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -71.78 -39.63 69.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.13 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -61.99 -47.14 86.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.617 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -84.71 -16.3 42.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.184 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.408 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 3.0 t-105 -52.89 -45.37 67.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.781 -179.368 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.417 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 0.5 OUTLIER -57.23 -47.83 80.35 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.914 -179.431 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.4 -35.97 71.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.136 0.493 . . . . 0.0 110.598 178.301 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -59.08 -31.08 68.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.597 -0.729 . . . . 0.0 112.323 -178.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.417 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.0 OUTLIER -63.02 -11.25 17.9 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -179.569 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -74.23 -28.44 61.25 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.657 0.265 . . . . 0.0 110.958 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.2 pp -123.04 0.34 6.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.0 t -103.28 162.97 12.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.756 0.313 . . . . 0.0 111.022 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . -121.67 50.99 0.81 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.473 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -65.31 115.56 5.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.832 0.349 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 6.8 p -136.23 173.82 11.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.31 106.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -91.34 89.6 7.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.963 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -161.81 132.03 4.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.048 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -73.67 164.49 26.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.842 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.819 0.342 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 43.2 p -175.8 -62.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 10.7 t -96.75 155.41 16.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -143.8 46.97 1.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 7.3 m -129.15 157.98 40.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.766 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.617 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 26.6 t -69.56 129.42 39.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.911 0.386 . . . . 0.0 110.827 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.458 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.7 m0 -55.24 -19.28 7.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.817 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -111.93 -61.92 1.64 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.813 0.339 . . . . 0.0 111.035 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.617 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 66.9 m -52.41 -42.8 64.37 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -178.077 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.58 -1.31 88.12 Favored Glycine 0 CA--C 1.519 0.344 0 C-N-CA 120.224 -0.988 . . . . 0.0 112.529 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.93 -68.0 0.83 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.839 0.352 . . . . 0.0 111.039 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.08 144.01 21.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.202 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -101.56 -151.69 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.86 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 172.76 -56.99 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.871 0.367 . . . . 0.0 110.831 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -86.89 155.84 20.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.003 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 82.2 m -131.79 140.19 49.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.904 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 27.7 t -49.6 120.67 4.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.061 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 14.9 m -77.93 -15.41 59.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.067 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -86.11 -30.72 22.06 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.736 -0.745 . . . . 0.0 113.206 -179.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.0 p -127.27 -8.29 5.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 117.32 0.56 . . . . 0.0 112.076 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 56.48 26.33 10.76 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.63 0.252 . . . . 0.0 111.427 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 57.0 m -119.45 -62.61 1.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.402 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.458 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -49.76 138.55 14.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.467 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 4.1 ttt-85 -126.13 142.88 51.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.943 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . 0.415 ' CE1' ' HB2' ' A' ' 691' ' ' ASP . 77.1 m-85 -149.44 169.68 20.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.933 0.396 . . . . 0.0 110.719 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 16.9 p -97.09 -15.59 20.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.409 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -163.44 179.9 38.26 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.397 -0.906 . . . . 0.0 112.842 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 93.9 p -68.19 -41.32 81.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.717 0.294 . . . . 0.0 111.352 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -60.86 -46.58 90.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.749 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.93 -38.67 83.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . 0.41 ' HG3' ' CE2' ' A' ' 682' ' ' TYR . 12.1 tt0 -69.17 -34.66 75.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.305 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -71.88 -39.92 69.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -65.06 -41.06 95.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.544 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . 0.415 ' HB2' ' CE1' ' A' ' 682' ' ' TYR . 1.9 m-20 -87.24 -18.46 30.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.925 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.406 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 3.0 t-105 -52.97 -45.45 67.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.677 -179.406 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.423 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 1.3 mt-10 -56.73 -47.89 79.0 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.77 -179.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 11.1 pttp -71.36 -35.84 71.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.093 0.473 . . . . 0.0 110.493 178.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -59.01 -31.15 68.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.366 -178.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.423 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -62.72 -10.69 13.59 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -179.546 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -74.22 -31.64 62.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.671 0.272 . . . . 0.0 110.909 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.5 pp -118.55 0.25 8.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.911 -179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 6.3 t -104.89 161.74 13.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.805 0.336 . . . . 0.0 111.056 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . -111.43 29.61 8.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -69.32 138.73 54.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.838 0.352 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 3.2 m -143.75 104.59 4.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 1.6 pp -129.74 176.73 7.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -69.05 169.85 11.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.811 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -170.7 130.65 0.84 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.067 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -42.58 95.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.863 0.363 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 13.8 p -164.76 -57.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.971 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.26 167.46 10.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -149.88 49.35 0.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 45.9 m -108.6 150.75 27.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.758 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.603 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 19.7 t -66.38 129.48 39.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.837 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.442 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 12.7 m0 -55.92 -18.67 9.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.686 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -111.89 -62.47 1.56 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.866 0.365 . . . . 0.0 110.84 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.603 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 71.4 m -53.05 -42.32 65.67 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.053 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.7 -0.6 87.97 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 120.272 -0.966 . . . . 0.0 112.596 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.68 -70.06 0.74 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.876 0.369 . . . . 0.0 111.116 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -156.59 146.55 21.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.12 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -131.66 147.95 52.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.967 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.43 -31.66 2.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.495 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -86.85 150.59 24.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.092 0.472 . . . . 0.0 111.054 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 28.6 m -131.85 140.32 49.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.045 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 49.8 t -48.6 121.09 4.2 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.128 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 10.7 t -78.35 -15.37 58.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.109 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.09 -32.21 21.13 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.752 -0.737 . . . . 0.0 113.262 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 26.9 p -126.16 -7.0 6.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 117.315 0.557 . . . . 0.0 112.015 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 6.5 m120 56.09 26.03 9.65 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.717 0.294 . . . . 0.0 111.328 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 3.1 m -118.85 -62.87 1.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.332 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.442 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -50.78 148.9 3.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.33 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.11 142.96 47.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . 0.411 ' CE2' ' HG3' ' A' ' 688' ' ' GLN . 47.2 m-85 -149.52 165.73 31.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.933 0.397 . . . . 0.0 110.631 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 24.9 p -95.66 -15.43 22.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.564 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -161.31 178.14 37.36 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.367 -0.92 . . . . 0.0 112.961 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.13 -39.67 82.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.699 0.285 . . . . 0.0 111.246 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -60.94 -46.54 90.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.593 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.83 -38.28 78.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . 0.411 ' HG3' ' CE2' ' A' ' 682' ' ' TYR . 41.7 tt0 -67.99 -35.81 78.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.311 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -71.89 -39.43 69.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.824 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -40.84 90.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.566 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -86.87 -18.38 31.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.924 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.431 ' CZ3' ' HB3' ' A' ' 696' ' ' HIS . 2.9 t-105 -52.84 -45.12 67.19 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.605 -179.393 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.501 ' O ' ' CD2' ' A' ' 696' ' ' HIS . 0.1 OUTLIER -56.16 -47.37 78.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.046 0.45 . . . . 0.0 110.442 -179.845 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.04 -35.92 72.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.191 0.52 . . . . 0.0 110.343 178.205 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -59.63 -31.65 69.7 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 113.218 0.822 . . . . 0.0 113.218 -178.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.501 ' CD2' ' O ' ' A' ' 693' ' ' GLU . 0.5 OUTLIER -67.63 -9.15 40.52 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.814 -179.228 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -74.4 -30.44 61.95 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.816 0.341 . . . . 0.0 110.51 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.2 pt -123.77 -0.26 6.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.935 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 9.6 t -107.69 160.22 15.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.877 0.37 . . . . 0.0 110.964 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 60.95 27.86 67.7 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.612 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -69.03 -44.05 73.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.86 0.362 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 11.1 p -119.08 -41.34 2.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.802 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.9 150.5 26.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -170.03 129.72 0.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -98.38 137.86 36.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -141.56 88.01 2.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.861 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.459 -0.017 0 CA-C-O 120.918 0.39 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 3.6 m -93.71 139.16 31.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.822 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 25.0 p -65.65 177.49 1.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.964 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -170.44 69.73 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.3 m -111.98 136.51 51.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.7 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.626 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 25.6 t -71.19 129.1 38.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.9 0.381 . . . . 0.0 110.932 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.454 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.4 m0 -54.62 -19.34 5.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.847 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -112.24 -61.59 1.7 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.835 0.35 . . . . 0.0 111.061 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.626 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 64.4 m -52.27 -43.18 64.26 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -177.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.67 -1.24 88.43 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.158 -1.02 . . . . 0.0 112.538 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.35 -67.9 0.84 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.889 0.376 . . . . 0.0 111.202 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -154.12 143.78 21.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.252 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -100.34 -152.94 0.43 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.2 m 173.69 -58.59 0.01 OUTLIER 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.842 0.353 . . . . 0.0 110.766 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -86.97 154.79 20.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.028 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 48.8 m -131.75 140.22 49.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.985 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 33.4 t -49.04 120.6 4.04 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.126 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.96 -15.4 59.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.043 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.53 -30.93 23.12 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.8 -0.714 . . . . 0.0 113.189 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.7 p -126.94 -7.97 6.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 117.199 0.5 . . . . 0.0 112.055 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 16.8 m120 55.87 26.4 9.65 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.68 0.276 . . . . 0.0 111.413 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 2.0 m -119.09 -63.86 1.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.367 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.454 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -48.82 136.51 13.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.557 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -123.68 142.62 50.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . 0.421 ' CD2' ' HG3' ' A' ' 688' ' ' GLN . 98.0 m-85 -149.41 170.66 18.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.94 0.4 . . . . 0.0 110.791 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 16.9 p -97.37 -16.26 20.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.324 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -164.28 -179.39 38.43 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.861 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 12.1 m -68.23 -40.66 81.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.751 0.31 . . . . 0.0 111.474 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . 0.4 ' CE2' ' SG ' ' A' ' 687' ' ' CYS . 45.1 p90 -60.97 -46.68 89.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.868 0.366 . . . . 0.0 110.838 -179.629 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . 0.4 ' SG ' ' CE2' ' A' ' 686' ' ' PHE . 1.7 m -61.31 -39.28 89.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . 0.421 ' HG3' ' CD2' ' A' ' 682' ' ' TYR . 51.3 tt0 -70.43 -34.37 72.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.436 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 52.2 m170 -71.88 -39.58 69.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.014 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.26 -44.39 91.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.621 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . 0.419 ' HB2' ' CE1' ' A' ' 682' ' ' TYR . 8.4 m-20 -85.31 -17.2 37.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.038 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.406 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.78 -45.45 67.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.676 -179.308 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.477 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 2.0 tt0 -56.27 -47.35 78.76 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.596 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.93 -35.89 72.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.137 0.494 . . . . 0.0 110.154 178.118 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . 0.422 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 19.3 t60 -59.19 -31.23 68.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.484 -0.78 . . . . 0.0 112.6 -178.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.477 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 0.7 OUTLIER -64.28 -9.76 19.56 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -179.343 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -74.36 -28.45 61.13 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.725 0.297 . . . . 0.0 110.887 179.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.1 pt -119.71 -0.45 8.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.989 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 3.8 t -101.42 160.77 14.14 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.931 0.395 . . . . 0.0 111.034 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 106.29 -47.11 1.08 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.5 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -109.9 119.56 39.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.778 0.323 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 2.9 p -69.2 -35.18 75.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.1 -178.83 3.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.811 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -101.58 119.61 39.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -101.2 73.81 1.53 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.064 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.99 -31.56 27.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.817 0.341 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 35.8 t -82.6 -72.56 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.69 -180.0 4.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -128.76 67.52 1.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 3.6 m -94.78 147.86 22.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.743 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.595 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 17.8 t -65.1 129.16 38.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.816 0.341 . . . . 0.0 110.819 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.444 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 12.8 m0 -56.12 -18.76 10.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.703 -179.597 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -111.44 -62.61 1.53 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.859 0.362 . . . . 0.0 110.776 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.595 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 75.9 m -53.47 -42.07 66.85 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -178.035 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.91 -0.57 88.28 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.165 -1.017 . . . . 0.0 112.563 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.81 -70.42 0.72 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.879 0.371 . . . . 0.0 111.291 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.52 147.33 21.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.156 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -131.05 147.14 52.59 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.011 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.02 -32.16 3.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.409 -179.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -86.77 151.71 23.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.937 0.399 . . . . 0.0 111.143 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 83.4 m -131.87 140.25 49.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.976 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 44.3 t -49.03 121.76 5.13 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 78.9 p -78.08 -15.61 58.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.039 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.66 -31.78 20.5 Favored Glycine 0 C--N 1.333 0.365 0 C-N-CA 120.789 -0.72 . . . . 0.0 113.284 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 29.2 p -126.73 -7.51 6.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 117.266 0.533 . . . . 0.0 112.09 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 56.19 26.07 9.89 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.78 0.324 . . . . 0.0 111.426 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 58.7 m -119.08 -62.23 1.54 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.321 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.444 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -51.18 148.23 4.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.294 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 2.6 mmt85 -133.63 143.7 48.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.93 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -149.46 165.42 32.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.927 0.394 . . . . 0.0 110.711 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 25.7 p -95.62 -15.32 22.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.337 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.55 177.47 36.96 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.447 -0.882 . . . . 0.0 112.881 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 30.0 m -68.06 -39.99 82.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.688 0.28 . . . . 0.0 111.215 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -60.97 -46.44 90.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.674 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.01 -37.51 74.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -67.93 -35.77 79.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.43 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -71.83 -39.38 69.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.882 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 28.9 mmtt -64.75 -42.86 94.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.536 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -86.2 -17.79 33.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.965 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.422 ' CZ3' ' HB3' ' A' ' 696' ' ' HIS . 2.9 t-105 -52.72 -45.4 66.92 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.608 -179.324 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.497 ' O ' ' CD2' ' A' ' 696' ' ' HIS . 1.1 tt0 -56.16 -47.46 78.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.037 0.446 . . . . 0.0 110.524 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.98 -36.06 72.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.094 0.473 . . . . 0.0 110.413 178.227 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -59.55 -31.68 69.64 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 -178.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.497 ' CD2' ' O ' ' A' ' 693' ' ' GLU . 0.4 OUTLIER -67.25 -9.2 38.2 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.884 -179.079 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -74.64 -28.62 60.94 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.745 0.307 . . . . 0.0 110.652 178.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.7 pp -124.2 -0.51 5.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.7 t -103.81 157.27 17.19 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.783 0.325 . . . . 0.0 110.943 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . -95.76 28.64 11.75 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.582 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -88.36 81.99 7.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.844 0.354 . . . . 0.0 110.816 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.46 169.47 12.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -92.11 125.94 36.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -87.01 170.94 11.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -138.58 168.02 20.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.078 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -107.29 -34.87 6.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.834 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.862 0.363 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 3.4 m -104.06 172.38 6.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 47.2 t -113.7 166.56 11.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -122.42 49.1 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.807 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 69.7 m -113.48 158.25 20.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.581 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 18.8 t -70.86 129.45 39.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.35 . . . . 0.0 110.822 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.444 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 12.8 m0 -56.3 -18.86 11.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.764 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -111.72 -62.93 1.48 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.868 0.366 . . . . 0.0 110.806 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.581 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 77.4 m -52.86 -42.49 65.27 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -178.048 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.75 -1.2 86.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.219 -0.991 . . . . 0.0 112.666 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -96.69 -68.87 0.78 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.93 0.395 . . . . 0.0 111.162 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.68 147.49 18.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.129 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -132.48 148.53 52.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.0 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 44.9 p -125.61 -31.43 2.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.528 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -86.75 151.27 23.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.021 0.439 . . . . 0.0 111.095 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 31.9 m -131.91 140.28 49.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.03 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 46.4 t -48.7 121.44 4.61 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.089 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 11.3 m -78.52 -15.34 58.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.016 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.33 -32.16 20.52 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 120.786 -0.721 . . . . 0.0 113.254 -179.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.7 p -125.85 -6.98 6.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 117.322 0.561 . . . . 0.0 111.926 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 55.87 25.57 8.7 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.746 0.308 . . . . 0.0 111.385 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 59.8 m -118.19 -63.73 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.186 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.444 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -49.28 146.56 3.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.272 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.54 142.11 46.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . 0.447 ' CD1' ' HG2' ' A' ' 688' ' ' GLN . 86.9 m-85 -149.48 174.35 12.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.001 0.429 . . . . 0.0 110.827 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 25.8 p -102.45 -15.37 16.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.843 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -157.97 174.8 35.28 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.227 -0.987 . . . . 0.0 113.149 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 1.1 m -68.19 -39.71 82.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.702 0.287 . . . . 0.0 111.103 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -60.81 -45.47 94.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.469 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 2.3 m -57.74 -36.48 72.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.807 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . 0.447 ' HG2' ' CD1' ' A' ' 682' ' ' TYR . 74.8 mt-30 -66.76 -36.88 83.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.543 179.429 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -71.77 -39.44 69.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.123 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -63.04 -44.92 94.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.788 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.71 -16.66 35.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.199 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.404 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.61 -45.37 66.54 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.631 -179.28 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.483 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 3.1 mt-10 -56.13 -47.4 78.24 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.577 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.93 -36.0 72.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.044 0.449 . . . . 0.0 110.273 178.133 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -59.3 -31.48 69.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.626 -0.716 . . . . 0.0 112.536 -178.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.483 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 0.7 OUTLIER -65.95 -10.41 38.86 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.634 -179.503 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 42.7 m-70 -74.39 -30.2 61.86 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.837 0.351 . . . . 0.0 110.81 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.5 pp -124.16 0.02 5.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.123 -179.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 7.1 t -106.2 159.36 16.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.881 0.372 . . . . 0.0 111.071 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 91.48 -49.37 2.91 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -93.39 47.81 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 110.857 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 66.1 p -90.63 112.31 23.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.89 125.93 54.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 -105.76 146.27 30.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -134.72 89.75 2.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -80.91 -36.29 31.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.941 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 11.3 t70 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.87 0.367 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.5 m -144.28 141.26 29.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 1.2 m -109.74 157.03 19.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -136.19 47.99 2.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 6.6 m -107.07 153.13 23.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.608 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 18.5 t -66.57 129.02 38.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.863 0.363 . . . . 0.0 110.764 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.444 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 13.1 m0 -55.65 -18.88 8.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.722 -179.652 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -111.62 -62.32 1.57 Allowed 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.874 0.369 . . . . 0.0 110.83 -179.876 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.608 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 69.3 m -53.13 -42.47 66.09 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -178.036 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.22 -0.82 88.43 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.264 -0.97 . . . . 0.0 112.567 -179.561 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.03 -71.42 0.68 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.864 0.364 . . . . 0.0 111.085 -179.932 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.69 147.75 23.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.221 -179.862 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -131.14 147.12 52.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.922 179.851 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 43.8 m -124.68 -32.55 3.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.441 -179.759 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -86.86 151.13 23.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.997 0.427 . . . . 0.0 111.158 -179.535 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 26.8 m -131.82 140.22 49.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.976 -179.616 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 42.3 t -48.96 121.47 4.78 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.243 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.3 -15.53 58.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.024 179.7 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.43 -31.99 20.64 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.696 -0.764 . . . . 0.0 113.232 -179.424 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 27.3 p -126.38 -7.39 6.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 117.312 0.556 . . . . 0.0 112.013 -179.697 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 56.35 25.9 10.0 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.695 0.284 . . . . 0.0 111.403 179.757 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 2.0 m -118.8 -62.94 1.46 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.338 -179.676 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.444 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -50.22 146.83 4.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.318 -179.83 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 4.6 mmt85 -132.42 142.36 49.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . 0.418 ' CE2' ' HG2' ' A' ' 688' ' ' GLN . 91.0 m-85 -149.61 166.48 29.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.927 0.394 . . . . 0.0 110.742 179.872 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 28.6 p -96.37 -15.76 21.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.439 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.16 177.04 36.78 Favored Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.36 -0.924 . . . . 0.0 112.901 -179.639 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 5.7 p -68.13 -39.92 82.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.664 0.268 . . . . 0.0 111.245 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -60.85 -46.51 90.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.596 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.61 -37.94 76.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . 0.418 ' HG2' ' CE2' ' A' ' 682' ' ' TYR . 0.5 OUTLIER -70.33 -34.32 72.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.425 179.482 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -71.76 -39.63 69.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -65.03 -42.05 94.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.604 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.02 -17.86 31.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.994 179.808 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.408 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.76 -45.22 66.99 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.621 -179.433 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.413 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 7.3 tt0 -56.2 -47.34 78.56 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.486 -179.813 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -71.15 -35.95 71.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.499 178.261 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -59.08 -31.14 68.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.367 -178.527 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.413 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.0 OUTLIER -63.28 -10.76 17.39 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -179.617 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -74.32 -36.3 63.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.726 0.298 . . . . 0.0 111.123 179.551 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.6 pp -117.33 0.19 8.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -179.428 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.9 t -105.19 162.17 13.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.799 0.333 . . . . 0.0 111.021 -179.82 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . -124.57 41.4 1.72 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.531 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -60.41 -74.38 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.851 0.358 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.65 117.69 31.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.811 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 1.9 mp -92.44 -62.27 1.43 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.82 -47.91 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -72.68 175.14 6.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -125.68 155.33 41.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.975 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.83 0.347 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 2.9 p -162.14 165.64 26.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 6.7 p -125.81 123.43 38.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.6 47.43 2.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.58 139.9 52.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.844 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.593 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 19.8 t -63.0 129.45 40.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.903 0.383 . . . . 0.0 110.779 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.455 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 13.6 m0 -55.56 -19.33 9.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.766 -179.698 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -111.59 -62.28 1.58 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.886 0.374 . . . . 0.0 110.917 -179.813 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.593 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 72.4 m -53.48 -42.25 67.04 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -178.032 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 83.04 -1.35 88.83 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.227 -0.987 . . . . 0.0 112.477 -179.457 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.56 -73.98 0.57 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.884 0.373 . . . . 0.0 111.081 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -152.98 146.83 25.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.142 -179.669 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -128.01 144.9 51.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 179.69 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 2.9 m -123.84 -34.2 3.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.347 -179.72 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -86.81 151.04 23.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.979 0.419 . . . . 0.0 111.13 -179.542 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 25.8 m -131.94 140.2 48.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.007 -179.748 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 40.2 t -48.59 121.71 4.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.241 179.939 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 65.1 m -78.39 -15.56 58.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.978 179.701 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.23 -32.68 19.5 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 113.298 -179.41 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 30.4 p -125.68 -7.0 6.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 117.326 0.563 . . . . 0.0 112.036 -179.773 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 11.4 m120 55.91 25.72 8.95 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.751 0.31 . . . . 0.0 111.402 179.775 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 17.2 m -118.5 -63.53 1.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.321 -179.731 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.455 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -50.56 148.03 4.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.255 -179.886 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 -134.62 144.22 47.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -149.48 166.38 29.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.711 179.866 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 24.3 p -94.83 -15.59 23.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.372 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.99 178.28 37.02 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.82 -179.711 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.12 -39.93 82.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.728 0.299 . . . . 0.0 111.297 -179.905 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -60.89 -46.45 90.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.842 -179.795 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.71 -38.16 77.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.914 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -68.83 -35.33 76.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.399 179.458 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 51.9 m170 -71.95 -39.31 69.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.861 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 3.4 mttm -64.77 -43.75 92.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.573 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -85.85 -17.26 36.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.022 179.756 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.412 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.72 -45.23 66.86 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.642 -179.314 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.487 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 5.4 tp10 -56.24 -47.54 78.29 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.527 -179.767 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -70.89 -36.06 72.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.147 0.498 . . . . 0.0 110.181 178.176 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -59.33 -31.42 69.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.527 -0.76 . . . . 0.0 112.509 -178.636 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.487 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 0.7 OUTLIER -65.72 -10.74 39.48 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.607 -179.442 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -74.59 -29.6 61.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.775 0.322 . . . . 0.0 110.777 179.088 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.1 pt -122.61 -0.67 6.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.98 -179.45 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.4 t -102.76 147.32 26.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.885 0.374 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 91.02 -48.83 3.0 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.413 -179.875 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -125.45 166.35 16.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.352 . . . . 0.0 110.816 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 73.4 p -140.37 -48.54 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 2.1 pp -167.59 115.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -90.02 157.17 17.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -155.88 175.7 13.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.066 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -123.03 155.17 37.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.815 -179.918 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.922 179.945 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 8.7 t0 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.797 0.332 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 3.4 p -156.11 -42.26 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 -179.904 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 2.2 p 73.22 161.22 0.24 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 20.7 mp0 -98.54 62.55 1.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.007 -179.851 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 2.7 m -142.04 141.66 32.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.713 179.87 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.629 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 18.6 t -67.52 128.99 38.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.923 0.392 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.448 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.8 m0 -56.03 -18.77 10.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.767 -179.637 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -111.2 -62.35 1.56 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.853 0.359 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.629 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 64.9 m -51.97 -45.84 64.58 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -178.084 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 86.8 -1.27 86.91 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.222 -0.99 . . . . 0.0 112.716 -179.703 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -99.07 -75.46 0.56 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.894 0.378 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -150.11 147.99 28.44 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.557 -179.674 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -132.83 148.7 52.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.884 179.61 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.09 -31.01 2.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.635 -179.673 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -86.82 150.06 24.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.023 0.439 . . . . 0.0 111.228 -179.432 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 12.8 m -131.86 140.3 49.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.952 -179.821 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 42.2 t -49.22 121.4 4.86 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.196 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 42.7 t -78.28 -15.52 58.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.026 179.717 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.38 -31.93 20.92 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 113.289 -179.447 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 27.7 p -126.51 -7.54 6.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 117.297 0.548 . . . . 0.0 112.047 -179.746 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 56.52 26.0 10.44 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.724 0.297 . . . . 0.0 111.416 179.772 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.91 -62.81 1.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.284 -179.606 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.448 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -51.16 147.8 5.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.201 -179.912 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -134.6 142.73 47.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.929 -179.867 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -149.55 166.0 30.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.667 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 26.1 p -95.33 -15.69 22.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.477 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -161.54 178.58 37.38 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.992 -179.797 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 52.1 p -68.16 -40.31 82.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.664 0.269 . . . . 0.0 111.224 -179.875 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -60.86 -46.47 90.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.731 -179.844 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.35 -39.84 88.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.844 179.785 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -69.89 -34.13 73.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.43 179.467 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -71.81 -38.98 70.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.888 179.835 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 6.1 mtpp -65.4 -41.49 93.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.652 179.807 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -87.59 -18.37 29.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.092 179.738 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.409 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.79 -45.29 67.11 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.634 -179.374 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.426 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 3.5 tt0 -56.18 -47.38 78.4 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.599 -179.786 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -71.25 -36.0 71.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.485 178.19 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -59.18 -31.21 68.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.336 -178.599 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.426 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -62.43 -10.99 13.25 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -179.459 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -74.11 -40.91 62.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.721 0.296 . . . . 0.0 110.973 179.62 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.7 pp -110.51 -0.36 9.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.474 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 9.1 t -108.12 160.35 15.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.812 0.339 . . . . 0.0 111.067 -179.715 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 103.68 -28.87 13.63 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.597 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -81.62 108.19 14.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.79 0.329 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.58 144.79 37.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.22 86.99 3.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.29 -41.67 2.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.852 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -150.75 -56.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -170.01 -42.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.824 0.345 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 5.5 p -81.67 -63.82 1.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 14.7 m -139.55 -171.05 3.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.95 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 61.82 60.87 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.3 m -131.94 135.64 46.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.714 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.583 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 15.7 t -64.65 129.01 38.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.894 0.378 . . . . 0.0 110.863 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.442 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 12.9 m0 -56.07 -18.91 10.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.701 -179.686 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -111.29 -62.58 1.53 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.869 0.366 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.583 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 87.1 m -53.89 -41.77 67.93 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -178.066 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.23 -0.37 87.7 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.195 -1.002 . . . . 0.0 112.612 -179.586 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.81 -67.41 0.85 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.902 0.382 . . . . 0.0 111.195 -179.871 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.54 146.76 16.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.265 -179.734 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -129.08 145.25 51.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.946 179.78 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.41 -34.19 3.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.321 -179.798 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -86.81 152.12 22.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.942 0.401 . . . . 0.0 111.066 -179.674 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 48.4 m -131.92 140.26 48.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.033 -179.624 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 39.9 t -48.78 121.99 5.21 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.38 -15.63 58.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.022 179.633 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.2 -32.63 19.7 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.833 -0.699 . . . . 0.0 113.257 -179.394 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 31.0 p -125.65 -7.11 6.82 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 117.277 0.538 . . . . 0.0 111.951 -179.684 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 55.81 25.38 8.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.712 0.291 . . . . 0.0 111.43 179.701 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 7.2 m -118.24 -63.65 1.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.206 -179.661 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.442 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -49.65 146.5 4.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.285 -179.923 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 5.4 mtt85 -133.46 142.8 48.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . 0.454 ' CD2' ' HG2' ' A' ' 688' ' ' GLN . 87.2 m-85 -149.51 170.11 19.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.946 0.403 . . . . 0.0 110.81 179.929 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 28.6 p -98.48 -15.36 19.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.763 -179.665 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -159.63 176.48 36.37 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.288 -0.958 . . . . 0.0 113.159 -179.641 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 65.6 p -68.18 -39.2 82.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.691 0.282 . . . . 0.0 111.294 -179.871 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -60.7 -46.25 91.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.914 0.387 . . . . 0.0 110.559 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . 0.471 ' O ' ' HG2' ' A' ' 690' ' ' LYS . 2.0 m -57.76 -36.28 71.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.737 179.753 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . 0.454 ' HG2' ' CD2' ' A' ' 682' ' ' TYR . 63.8 mt-30 -69.01 -36.51 77.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.408 179.427 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.01 -42.25 66.62 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.385 -179.876 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 687' ' ' CYS . 0.8 OUTLIER -64.91 -38.76 92.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.93 0.395 . . . . 0.0 110.641 -179.864 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -88.8 -18.21 28.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.976 179.654 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.407 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.78 -44.39 66.53 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.594 -179.423 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.475 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 2.2 tt0 -56.86 -47.46 80.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.961 0.41 . . . . 0.0 110.564 -179.922 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -71.05 -36.03 72.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.172 0.511 . . . . 0.0 110.352 178.253 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . 0.418 ' CE1' HD11 ' A' ' 698' ' ' ILE . 3.6 t60 -59.3 -31.34 69.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.624 -178.666 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.475 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 0.7 OUTLIER -65.55 -9.84 29.96 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.284 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -74.55 -30.32 61.7 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.713 0.292 . . . . 0.0 110.823 179.175 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . 0.418 HD11 ' CE1' ' A' ' 695' ' ' HIS . 2.6 pp -124.16 0.17 5.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -179.381 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 6.1 t -104.82 159.83 15.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.799 0.333 . . . . 0.0 111.001 -179.856 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 68.78 27.6 73.74 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.45 -179.855 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -100.06 114.74 28.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.323 . . . . 0.0 110.949 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 24.4 p -97.59 39.6 1.2 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.42 118.02 8.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -127.16 35.42 4.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -88.46 135.05 33.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.073 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -125.76 123.67 39.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.974 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.805 0.336 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 15.0 p -105.41 130.88 53.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 30.9 t -65.5 -43.04 91.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -166.13 54.69 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.98 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.97 141.8 51.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.839 179.935 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.623 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 20.7 t -69.84 129.14 38.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.882 0.372 . . . . 0.0 110.807 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.444 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.7 m0 -55.6 -19.06 9.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.745 -179.656 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -111.34 -62.45 1.55 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.777 0.322 . . . . 0.0 110.887 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.623 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 66.7 m -52.24 -42.64 63.79 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -178.078 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.41 -1.16 88.18 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.227 -0.987 . . . . 0.0 112.537 -179.537 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.03 -72.41 0.65 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.903 0.382 . . . . 0.0 111.164 -179.893 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 2.3 tppt? -154.32 148.08 25.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.278 -179.797 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -131.97 147.94 52.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.949 179.717 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.09 -33.23 2.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.484 -179.762 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -86.76 149.72 24.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.053 0.454 . . . . 0.0 111.155 -179.503 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 62.8 m -131.84 140.3 49.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.038 -179.651 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 36.7 t -48.49 121.08 4.14 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.145 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 65.5 m -78.27 -15.24 58.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.112 179.731 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.23 -31.53 22.42 Favored Glycine 0 C--N 1.332 0.361 0 C-N-CA 120.724 -0.751 . . . . 0.0 113.22 -179.478 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 30.7 p -126.32 -7.31 6.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 117.231 0.516 . . . . 0.0 112.013 -179.79 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 24.8 m120 55.84 25.74 8.85 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.712 0.291 . . . . 0.0 111.357 179.721 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 3.0 m -118.77 -62.81 1.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.304 -179.679 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.444 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -49.93 143.96 7.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.293 -179.872 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -129.59 140.96 51.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 -179.927 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -149.45 167.8 25.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.952 0.406 . . . . 0.0 110.774 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 27.0 p -97.46 -16.11 20.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.556 -179.855 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -161.05 177.9 37.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.351 -0.928 . . . . 0.0 113.012 -179.649 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 10.1 m -68.12 -40.03 82.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.727 0.299 . . . . 0.0 111.255 -179.914 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -60.94 -46.43 90.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.835 0.35 . . . . 0.0 110.638 -179.866 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.95 -39.31 85.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.763 179.79 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -69.45 -34.69 74.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.363 179.443 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -71.76 -39.36 70.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.791 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -42.86 96.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.574 179.817 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -87.18 -17.81 31.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.052 179.845 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.413 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.78 -45.48 67.15 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.665 -179.365 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.415 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 2.4 tt0 -56.13 -47.4 78.23 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.533 -179.699 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -71.26 -35.98 71.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.488 178.206 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -59.12 -31.23 68.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.326 -178.55 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.415 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -63.14 -11.59 21.5 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -179.442 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -74.43 -28.71 61.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.661 0.267 . . . . 0.0 111.019 179.567 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.1 pt -122.64 -0.59 6.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.334 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.8 t -103.1 161.89 13.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.847 0.356 . . . . 0.0 110.96 -179.702 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 91.86 -54.4 2.98 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.472 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 58.3 28.5 16.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.779 0.323 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -152.85 178.79 9.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.81 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 1.1 tt -170.8 92.69 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -88.45 137.75 32.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -143.51 132.82 23.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.056 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -116.45 -39.75 3.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.831 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.758 0.313 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 53.6 p -162.52 98.69 1.01 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 1.3 m -134.91 -65.18 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 60.37 47.83 8.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.929 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 19.9 m -111.75 136.47 50.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.817 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.615 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 27.4 t -66.76 129.55 40.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.882 0.372 . . . . 0.0 110.779 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.452 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.5 m0 -55.31 -19.03 7.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.835 -179.6 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -111.88 -62.51 1.55 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.96 0.409 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.615 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 68.8 m -52.54 -43.14 64.98 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -178.096 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.23 -0.83 88.43 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.197 -1.001 . . . . 0.0 112.558 -179.531 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.48 -67.83 0.83 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.867 0.365 . . . . 0.0 111.151 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -159.03 147.5 18.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.297 -179.789 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -131.3 147.29 52.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.924 179.737 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.27 -32.67 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.468 -179.642 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -86.8 149.85 24.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.034 0.445 . . . . 0.0 111.177 -179.468 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 33.0 m -132.0 140.18 48.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.041 -179.696 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 41.3 t -48.54 121.31 4.39 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.224 179.95 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.56 -15.25 58.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.075 179.69 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.2 -32.19 20.83 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 120.69 -0.767 . . . . 0.0 113.212 -179.392 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 29.4 p -125.87 -7.15 6.69 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 117.272 0.536 . . . . 0.0 112.007 -179.742 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 3.7 m120 56.06 25.87 9.41 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.771 0.32 . . . . 0.0 111.352 179.763 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 5.9 m -118.55 -63.4 1.41 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.27 -179.678 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.452 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -50.02 147.8 3.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.312 -179.864 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -134.52 141.88 46.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.885 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . 0.412 ' CE2' ' HG3' ' A' ' 688' ' ' GLN . 77.8 m-85 -149.5 166.72 28.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.684 179.841 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 27.3 p -95.86 -15.57 22.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.473 -179.877 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -161.09 177.96 37.24 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.386 -0.911 . . . . 0.0 112.935 -179.707 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.16 -40.32 82.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.676 0.274 . . . . 0.0 111.213 -179.887 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -60.93 -46.36 90.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.37 . . . . 0.0 110.675 -179.876 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.0 -39.56 86.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.776 179.855 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . 0.412 ' HG3' ' CE2' ' A' ' 682' ' ' TYR . 42.9 tt0 -68.96 -34.34 75.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.43 179.417 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.75 -39.24 70.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.952 179.781 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -64.99 -41.72 95.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.581 179.869 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.74 -18.4 29.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.982 179.848 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.411 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.77 -45.41 67.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.581 -179.344 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.414 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 2.8 tt0 -56.07 -47.38 78.06 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.599 -179.746 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -71.29 -35.88 71.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.159 0.504 . . . . 0.0 110.54 178.227 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -59.2 -31.11 68.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.387 -178.589 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.414 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -63.29 -11.13 19.48 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -179.643 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -74.37 -28.95 61.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.682 0.277 . . . . 0.0 111.034 179.48 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.5 pt -122.33 -0.32 6.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -179.391 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.5 t -103.34 159.68 15.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.864 0.364 . . . . 0.0 111.02 -179.733 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 95.26 -40.08 2.74 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.508 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -60.02 174.65 0.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 42.8 p -116.68 -44.78 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 86.0 mt -88.93 -178.37 5.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.913 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -90.82 122.94 33.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -120.71 85.93 2.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.086 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -176.09 124.85 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.831 0.348 . . . . 0.0 110.816 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.3 m -160.91 136.01 7.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.921 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 16.4 m -144.45 171.56 14.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.958 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.2 52.25 1.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.788 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 2.9 t -96.06 150.37 20.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.813 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.601 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 21.5 t -70.21 129.09 38.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.913 0.387 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.441 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.4 m0 -55.47 -19.36 9.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.786 -179.579 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -111.52 -61.96 1.62 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.851 0.358 . . . . 0.0 111.062 -179.809 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.601 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 67.9 m -52.82 -42.44 65.12 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -178.024 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.77 -1.45 88.2 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.217 -0.992 . . . . 0.0 112.511 -179.521 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.14 -69.06 0.78 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.945 0.402 . . . . 0.0 111.198 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 11.6 tptt -153.72 144.3 22.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.198 -179.822 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -100.5 -152.59 0.43 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.839 179.821 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 173.42 -57.83 0.01 OUTLIER 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.874 0.368 . . . . 0.0 110.792 179.911 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -86.97 155.46 20.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.978 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 69.3 m -129.75 140.2 51.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.999 -179.616 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 41.6 t -49.64 121.53 5.28 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.835 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 80.9 p -77.83 -15.71 58.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.096 179.627 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.19 -31.82 21.81 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.728 -0.749 . . . . 0.0 113.192 -179.435 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 29.2 p -126.82 -7.52 6.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 117.35 0.575 . . . . 0.0 112.043 -179.777 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 55.98 26.43 9.9 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.68 0.276 . . . . 0.0 111.48 179.674 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 2.0 m -120.04 -61.72 1.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 0.0 111.387 -179.589 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.441 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -49.07 137.74 12.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.552 -179.68 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 4.9 mmt85 -122.49 143.1 49.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -149.45 167.71 25.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.687 179.837 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 16.9 p -96.83 -15.94 21.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.299 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -162.85 179.54 38.05 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.837 -179.721 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 28.1 p -68.15 -40.79 82.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.708 0.29 . . . . 0.0 111.412 -179.731 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -60.91 -46.52 90.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.805 0.335 . . . . 0.0 110.847 -179.719 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.08 -37.65 77.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.899 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -69.07 -35.33 76.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.503 179.458 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -71.77 -40.08 69.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.729 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 16.5 mmtm -64.55 -43.05 95.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.612 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -85.79 -17.71 35.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.979 179.786 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.407 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.86 -45.74 67.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.671 -179.377 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.423 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 0.1 OUTLIER -56.12 -47.47 78.05 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.583 -179.761 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -71.14 -35.88 71.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.51 178.311 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -58.98 -31.11 68.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.436 -178.519 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.423 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -62.78 -10.53 13.26 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.5 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -74.32 -33.28 63.13 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.648 0.261 . . . . 0.0 111.05 179.599 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.0 pp -118.43 0.37 8.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.521 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.8 t -104.41 160.19 15.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.877 0.37 . . . . 0.0 110.987 -179.821 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 76.31 29.16 58.74 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.514 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -69.29 -31.33 69.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.3 91.17 3.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.76 100.5 3.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.16 87.16 4.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -148.89 146.49 27.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -93.74 86.47 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.986 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.761 0.315 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 2.0 m -86.75 -34.55 19.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.929 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 5.1 t -108.01 131.95 54.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.799 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -119.34 64.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 36.3 m -101.19 145.21 29.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.889 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.622 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 33.7 t -70.59 129.78 40.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.927 0.394 . . . . 0.0 110.882 -179.872 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.451 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.3 m0 -54.73 -19.16 5.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.917 -179.593 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -112.84 -61.53 1.72 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.881 0.372 . . . . 0.0 111.069 -179.727 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.622 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 67.1 m -52.43 -43.02 64.62 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -178.024 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 83.12 -2.03 87.67 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.229 -0.986 . . . . 0.0 112.515 -179.504 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -99.77 -67.88 0.83 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.882 0.373 . . . . 0.0 111.143 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -155.02 145.33 21.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.237 -179.86 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -102.13 -152.15 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 25.0 p 172.91 -57.21 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.888 0.375 . . . . 0.0 110.701 179.702 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -86.96 154.97 20.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.948 -179.808 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 4.8 m -131.88 140.21 49.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.963 -179.695 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 36.2 t -48.75 120.76 4.02 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.06 -15.45 58.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.005 179.751 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.28 -31.47 22.4 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.768 -0.73 . . . . 0.0 113.231 -179.486 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.9 p -126.8 -7.68 6.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 117.301 0.55 . . . . 0.0 111.993 -179.741 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 56.17 26.41 10.25 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.694 0.283 . . . . 0.0 111.351 179.738 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 2.6 m -119.1 -63.35 1.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.839 0.352 . . . . 0.0 111.411 -179.657 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.451 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -49.1 139.88 10.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.401 -179.857 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.95 142.36 51.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.956 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -148.79 170.46 18.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.831 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 17.3 p -96.09 -15.61 22.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.438 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -165.57 -179.09 39.07 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.854 -179.8 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 55.0 p -68.23 -39.95 82.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.584 0.23 . . . . 0.0 111.427 -179.755 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -60.99 -46.62 90.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.75 0.31 . . . . 0.0 110.861 -179.686 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -61.59 -38.87 89.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.963 179.923 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -69.91 -34.23 73.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.424 179.502 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 3.0 m80 -71.79 -39.83 69.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.939 179.845 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -64.46 -42.63 95.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.607 179.878 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -86.57 -17.75 33.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.963 179.808 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.408 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.93 -45.17 67.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.739 -179.41 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.434 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 12.5 tp10 -56.95 -47.78 79.86 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.821 -179.583 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 695' ' ' HIS . 8.9 ptmt -71.3 -35.98 71.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.079 0.466 . . . . 0.0 110.457 178.154 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . 0.412 ' N ' ' HG3' ' A' ' 694' ' ' LYS . 20.9 t60 -59.09 -31.24 68.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.375 -178.631 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.434 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -61.79 -10.8 9.86 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.425 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -74.0 -40.86 62.65 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.709 0.29 . . . . 0.0 110.909 179.629 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.7 pp -106.82 -0.61 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.945 -179.569 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.5 t -101.8 148.71 24.96 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.83 0.348 . . . . 0.0 110.991 -179.825 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 84.45 -55.47 5.0 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.566 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -57.16 -44.83 83.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.804 0.335 . . . . 0.0 111.028 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 5.5 p -60.44 154.18 21.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 179.92 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.03 112.73 10.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.58 90.06 3.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -160.67 170.2 21.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.078 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -141.96 -72.79 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.996 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.804 0.335 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.2 m -98.53 30.62 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.006 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.17 90.69 3.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 61.72 70.87 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 2.3 t -124.75 146.14 49.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.711 179.876 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.618 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 19.0 t -68.37 129.19 39.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.942 0.401 . . . . 0.0 110.822 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.449 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.0 m0 -56.04 -18.48 9.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.735 -179.64 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -111.69 -62.26 1.58 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.873 0.368 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.618 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 68.1 m -52.97 -42.85 65.91 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -178.129 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.19 -0.78 88.44 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.227 -0.987 . . . . 0.0 112.534 -179.489 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.93 -71.72 0.67 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.867 0.365 . . . . 0.0 111.102 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.81 148.01 23.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.271 -179.816 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -133.52 148.99 51.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.901 179.739 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.5 m -126.86 -30.46 2.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.594 -179.784 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -86.75 149.82 24.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.007 0.432 . . . . 0.0 111.225 -179.515 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 45.6 m -131.89 140.25 49.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.991 -179.8 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 37.9 t -48.68 121.6 4.75 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.176 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.22 -15.32 58.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.018 179.778 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.99 -31.39 20.58 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.727 -0.749 . . . . 0.0 113.25 -179.429 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 30.0 p -127.08 -7.71 5.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 117.335 0.567 . . . . 0.0 112.053 -179.689 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 56.48 26.04 10.42 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.698 0.285 . . . . 0.0 111.279 179.737 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 19.2 m -118.74 -62.78 1.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.278 -179.658 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.449 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -51.58 147.38 6.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.188 -179.9 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -134.67 142.88 46.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.987 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -149.55 166.29 29.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.708 179.908 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 24.9 p -95.62 -15.43 22.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.442 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -161.21 178.38 37.17 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.407 -0.902 . . . . 0.0 112.899 -179.736 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 10.7 m -68.18 -40.48 82.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.664 0.269 . . . . 0.0 111.195 -179.863 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -60.9 -46.43 90.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.696 -179.923 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.99 -39.68 86.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.844 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -69.32 -34.51 74.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.315 179.42 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -71.74 -39.31 70.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.855 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -42.27 95.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.609 179.879 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -87.58 -17.96 30.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.986 179.863 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.411 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.77 -45.29 67.06 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.655 -179.403 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.422 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 0.5 OUTLIER -56.17 -47.32 78.49 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.59 -179.823 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt -71.29 -36.1 71.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.137 0.494 . . . . 0.0 110.536 178.195 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -59.14 -31.19 68.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.481 -178.562 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.422 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -62.69 -10.72 13.55 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -179.625 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 -74.32 -35.76 63.66 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.73 0.3 . . . . 0.0 111.076 179.593 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.1 pp -115.37 -0.46 9.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.336 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.4 t -100.17 150.6 22.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.902 0.382 . . . . 0.0 110.847 -179.948 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 69.08 21.94 75.74 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.842 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -147.3 83.7 1.56 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.821 0.343 . . . . 0.0 110.815 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -91.07 140.65 29.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.99 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 4.5 tp 59.54 89.8 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 179.942 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -83.23 140.77 32.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -126.27 151.3 47.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.122 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -164.62 -66.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.807 0.336 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 88.2 p -98.71 31.28 2.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.47 29.74 7.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -169.96 92.17 0.21 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -144.4 130.63 19.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.772 179.911 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.626 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 22.5 t -70.84 129.45 39.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.832 0.349 . . . . 0.0 110.854 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.451 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.8 m0 -55.99 -18.53 9.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.769 -179.602 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -111.62 -62.62 1.53 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.923 0.392 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.626 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 67.5 m -52.02 -43.12 63.54 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -178.231 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.88 -0.64 88.16 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.243 -0.979 . . . . 0.0 112.614 -179.549 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -98.17 -68.8 0.79 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.817 0.342 . . . . 0.0 111.165 -179.862 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.54 148.17 19.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.287 -179.812 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -134.15 149.83 51.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.937 179.652 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.4 p -126.82 -30.45 2.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.513 -179.7 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -86.79 149.67 24.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.038 0.447 . . . . 0.0 111.291 -179.452 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 53.9 m -131.89 140.21 49.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.973 -179.752 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 39.6 t -48.61 121.32 4.43 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.154 179.894 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.49 -15.17 58.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.063 179.699 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.48 -31.97 20.52 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.771 -0.728 . . . . 0.0 113.233 -179.511 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.8 p -126.26 -7.44 6.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 117.383 0.591 . . . . 0.0 111.92 -179.66 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 56.4 25.9 10.1 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.785 0.326 . . . . 0.0 111.446 179.818 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 7.5 m -118.85 -63.22 1.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.842 0.353 . . . . 0.0 111.298 -179.631 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.451 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -50.89 148.18 4.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.306 -179.838 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -134.69 142.44 46.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.93 -179.877 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -149.53 165.94 30.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.682 179.877 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 25.7 p -95.42 -16.01 22.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.407 -179.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -161.75 178.65 37.54 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.329 -0.938 . . . . 0.0 112.898 -179.721 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 96.5 p -68.14 -40.37 82.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.701 0.286 . . . . 0.0 111.228 -179.806 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -60.86 -46.56 90.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.874 0.369 . . . . 0.0 110.738 -179.84 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.8 -40.7 93.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.767 179.733 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -69.34 -34.53 74.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.375 179.489 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -71.75 -38.56 70.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.909 179.811 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 3.0 mmtm -64.67 -43.39 93.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.641 179.816 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -86.91 -17.68 32.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.065 179.834 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.408 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.7 -45.03 66.7 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.582 -179.408 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.428 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 12.8 tt0 -56.12 -47.42 78.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.874 0.369 . . . . 0.0 110.512 -179.846 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.13 -36.11 71.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.475 178.197 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -59.14 -31.08 68.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.473 -178.59 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.428 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -62.41 -10.77 12.5 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -179.456 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -74.15 -40.8 62.35 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.73 0.3 . . . . 0.0 111.052 179.64 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.4 pt -110.29 -0.47 9.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.464 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 14.1 t -110.21 159.34 17.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.888 0.375 . . . . 0.0 111.047 -179.716 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 107.52 -26.81 17.02 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.588 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 61.7 31.24 18.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.799 0.333 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.36 146.43 24.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.06 -49.46 6.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.935 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -94.33 110.54 22.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -114.67 99.42 7.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.082 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -162.68 32.68 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 1.5 t0 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.807 0.337 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 29.5 t -69.42 113.26 6.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.51 155.23 40.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.921 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -105.82 59.84 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 179.915 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 20.4 p -107.01 150.33 26.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.833 179.957 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.627 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 21.5 t -68.2 129.14 39.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.958 0.408 . . . . 0.0 110.757 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.448 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.3 m0 -55.47 -18.27 6.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.787 -179.6 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -112.45 -62.16 1.62 Allowed 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 120.787 0.327 . . . . 0.0 110.811 -179.914 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.627 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 66.3 m -52.66 -43.51 65.57 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -177.98 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.7 -0.78 89.16 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.275 -0.964 . . . . 0.0 112.503 -179.579 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.8 -69.04 0.77 Allowed 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.826 0.346 . . . . 0.0 111.185 -179.853 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -157.92 147.68 20.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.267 -179.786 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -131.81 147.91 52.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.885 179.736 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 67.5 m -125.72 -32.08 2.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.531 -179.801 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.86 149.59 24.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.05 0.453 . . . . 0.0 111.188 -179.469 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 15.2 m -131.93 140.32 48.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.941 -179.763 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 32.9 t -48.7 121.32 4.48 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.209 179.975 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.22 -15.51 58.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.061 179.673 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.7 -31.4 21.38 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.817 -0.706 . . . . 0.0 113.239 -179.423 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 29.4 p -126.62 -7.7 6.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 117.236 0.518 . . . . 0.0 112.053 -179.733 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 56.14 25.94 9.65 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.668 0.27 . . . . 0.0 111.339 179.768 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 43.1 m -118.79 -62.96 1.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.872 0.367 . . . . 0.0 111.391 -179.718 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.448 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -50.32 145.49 6.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.349 -179.868 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 8.8 mmt180 -131.37 141.05 49.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . 0.42 ' CD2' ' HG3' ' A' ' 688' ' ' GLN . 90.7 m-85 -149.46 165.38 32.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.74 179.848 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 25.0 p -94.87 -15.94 23.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.475 -179.893 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -162.74 179.47 37.99 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.384 -0.912 . . . . 0.0 112.915 -179.636 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.22 -39.73 82.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.662 0.268 . . . . 0.0 111.245 -179.865 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . 0.4 ' CE2' ' SG ' ' A' ' 687' ' ' CYS . 44.6 p90 -60.82 -46.63 89.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 110.698 -179.829 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . 0.4 ' SG ' ' CE2' ' A' ' 686' ' ' PHE . 1.8 m -61.45 -41.04 96.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 179.802 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . 0.42 ' HG3' ' CD2' ' A' ' 682' ' ' TYR . 40.1 tt0 -68.56 -35.28 77.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.352 179.486 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -71.74 -39.28 70.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.909 179.851 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -43.14 95.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.0 0.428 . . . . 0.0 110.554 179.846 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . 0.418 ' HB2' ' CE1' ' A' ' 682' ' ' TYR . 4.7 m-20 -86.84 -17.7 32.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.975 179.849 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.41 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.69 -45.22 66.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.626 -179.361 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.414 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 22.3 tt0 -56.17 -47.47 78.2 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.548 -179.81 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -71.21 -36.07 71.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.132 0.492 . . . . 0.0 110.55 178.226 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -59.34 -31.15 68.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.348 -178.513 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.414 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -63.0 -11.55 19.7 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 -179.52 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -74.32 -28.3 61.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.724 0.297 . . . . 0.0 111.172 179.472 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.1 pp -122.06 -0.45 7.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.401 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.1 t -101.76 150.77 22.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.865 0.364 . . . . 0.0 110.969 -179.897 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 95.71 -36.45 3.83 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.448 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -62.26 151.47 36.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.828 0.347 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 71.5 p -104.96 32.38 4.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 10.9 tp -132.63 147.95 52.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 60.46 34.2 20.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.933 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -129.86 -45.8 1.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -60.59 88.42 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.922 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.579 0.228 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.657 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 19.2 t -70.58 129.21 38.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 110.841 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.462 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 13.0 m0 -55.67 -19.36 10.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.726 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -111.39 -62.83 1.49 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.905 0.383 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.618 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 69.6 m -52.58 -42.78 64.81 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -178.043 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.74 -0.89 87.65 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.2 -1.0 . . . . 0.0 112.534 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.18 -67.63 0.84 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.83 0.348 . . . . 0.0 111.151 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -159.99 147.89 16.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.233 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 670' ' ' ALA . . . . . 0.657 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -132.89 148.55 52.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.003 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 31.8 m -126.28 -30.65 2.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.603 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -86.65 150.19 24.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.027 0.441 . . . . 0.0 111.168 -179.45 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 87.8 m -129.82 140.16 51.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.052 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.853 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 40.2 t -49.92 122.03 6.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.087 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.07 -15.72 58.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.0 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.68 -32.47 18.59 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.771 -0.728 . . . . 0.0 113.252 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 30.9 p -126.04 -7.41 6.59 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 117.401 0.601 . . . . 0.0 112.057 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 56.03 25.62 9.06 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.727 0.299 . . . . 0.0 111.343 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 55.7 m -118.5 -63.11 1.45 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.826 0.346 . . . . 0.0 111.257 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.853 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -50.33 143.14 9.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.318 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.39 142.64 50.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.8 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 682' ' ' TYR . . . . . 0.445 ' CD2' ' HG2' ' A' ' 688' ' ' GLN . 92.3 m-85 -149.45 170.04 19.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.937 0.399 . . . . 0.0 110.791 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 25.3 p -99.86 -15.67 18.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.601 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -159.08 175.59 36.01 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.304 -0.95 . . . . 0.0 113.093 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.1 -39.74 82.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.73 0.3 . . . . 0.0 111.154 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -60.9 -46.34 91.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.867 0.365 . . . . 0.0 110.589 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.9 m -57.73 -36.57 72.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.747 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 688' ' ' GLN . . . . . 0.445 ' HG2' ' CD2' ' A' ' 682' ' ' TYR . 34.5 mt-30 -68.01 -36.52 80.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.433 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 41.9 m170 -71.75 -40.11 69.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.016 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -63.34 -44.16 95.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.566 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.32 -16.75 36.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.088 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.44 ' CZ3' ' HB3' ' A' ' 696' ' ' HIS . 2.9 t-105 -52.71 -44.95 66.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.552 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.495 ' O ' ' CD2' ' A' ' 696' ' ' HIS . 2.4 tp10 -56.14 -47.25 78.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.066 0.46 . . . . 0.0 110.476 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.09 -35.93 72.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.383 178.163 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 3.7 t60 -59.55 -31.8 69.75 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.288 0.848 . . . . 0.0 113.288 -178.242 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 693' ' ' GLU . 0.5 OUTLIER -67.77 -9.48 44.44 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.74 -179.189 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 45.0 m-70 -74.55 -30.18 61.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.872 0.367 . . . . 0.0 110.58 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.1 pp -123.46 -0.7 6.33 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.03 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 7.8 t . . . . . 0 C--N 1.331 -0.222 0 CA-C-O 120.892 0.377 . . . . 0.0 110.864 -179.909 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.668 0.271 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.697 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 16.3 t -63.54 129.05 38.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.903 0.383 . . . . 0.0 110.752 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.449 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 13.2 m0 -56.64 -18.44 12.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.748 -179.651 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -111.08 -62.46 1.54 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.859 0.361 . . . . 0.0 110.759 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.629 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 68.8 m -52.96 -44.69 67.31 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -178.055 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 86.59 -1.53 87.19 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.306 -0.949 . . . . 0.0 112.686 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -98.05 -75.29 0.55 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.93 0.395 . . . . 0.0 111.093 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.98 148.12 28.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.367 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 670' ' ' ALA . . . . . 0.697 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -130.34 146.32 51.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.948 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -123.75 -33.74 3.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.438 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -86.87 151.71 23.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.97 0.414 . . . . 0.0 111.159 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 21.5 m -131.89 140.22 49.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.967 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.88 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 37.7 t -48.68 121.51 4.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.177 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 1.9 p -78.14 -15.38 58.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.064 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.4 -32.43 19.58 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.258 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 31.6 p -125.74 -7.21 6.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 117.319 0.559 . . . . 0.0 112.029 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 56.15 25.59 9.25 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.769 0.319 . . . . 0.0 111.38 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 3.2 m -118.62 -62.96 1.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.286 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.88 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -50.76 148.58 3.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.327 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -134.41 144.21 48.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -149.53 166.05 30.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.73 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 26.6 p -95.52 -15.38 22.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.391 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.23 177.23 36.77 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.827 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 1.4 m -68.12 -39.94 82.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.742 0.306 . . . . 0.0 111.177 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -60.96 -46.45 90.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.901 0.382 . . . . 0.0 110.716 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -58.28 -37.4 74.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -67.86 -35.41 78.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.325 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -71.88 -39.08 69.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.941 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -64.15 -44.72 91.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.514 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.08 -17.45 37.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.006 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.418 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.7 t-105 -52.83 -45.83 67.48 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.683 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.404 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 0.0 OUTLIER -56.04 -47.49 77.76 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.636 -179.713 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -71.21 -36.07 71.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.084 0.469 . . . . 0.0 110.546 178.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.527 ' CE1' HD11 ' A' ' 698' ' ' ILE . 4.1 t60 -59.01 -31.27 68.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.495 -178.484 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.404 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -63.49 -11.2 21.95 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -179.493 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 -74.5 -27.85 60.73 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.656 0.265 . . . . 0.0 111.104 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 698' ' ' ILE . . . . . 0.534 HD12 ' C ' ' A' ' 698' ' ' ILE . 2.8 pp -126.05 0.4 4.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -179.278 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.331 -0.232 0 CA-C-O 120.848 0.356 . . . . 0.0 110.951 -179.907 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.718 0.294 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.649 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 20.0 t -71.84 129.18 37.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.891 0.377 . . . . 0.0 110.892 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.447 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.1 m0 -55.95 -19.1 10.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.735 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -110.93 -62.38 1.55 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.954 0.407 . . . . 0.0 110.913 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.649 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 67.2 m -52.24 -43.73 64.47 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -178.184 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.56 -0.36 89.31 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.281 -0.961 . . . . 0.0 112.651 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -98.99 -71.58 0.69 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.868 0.366 . . . . 0.0 111.084 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.19 146.85 23.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.367 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 670' ' ' ALA . . . . . 0.609 ' HB2' ' CA ' ' A' ' 663' ' ' CYS . . . -134.69 150.5 50.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.036 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 30.1 p -127.19 -29.24 2.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.572 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -86.83 150.04 24.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.098 0.475 . . . . 0.0 111.144 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 26.4 m -131.94 140.27 48.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.974 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.88 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 43.4 t -48.77 121.34 4.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.159 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.48 -15.4 58.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.048 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.41 -31.94 20.83 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.688 -0.768 . . . . 0.0 113.194 -179.431 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 27.3 p -126.39 -7.16 6.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 117.332 0.566 . . . . 0.0 112.022 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 56.27 25.87 9.81 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.726 0.298 . . . . 0.0 111.445 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 59.8 m -118.92 -62.59 1.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.777 0.322 . . . . 0.0 111.312 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.88 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -50.92 149.37 3.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.33 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 2.4 mmt85 -134.4 142.18 47.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.87 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -149.52 165.6 31.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.963 0.411 . . . . 0.0 110.695 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 27.4 p -96.61 -15.83 21.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.484 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.59 177.67 36.91 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.879 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 2.8 m -68.16 -40.24 82.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.686 0.279 . . . . 0.0 111.167 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -60.9 -46.44 90.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.847 0.356 . . . . 0.0 110.699 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.68 -39.47 84.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -69.15 -34.23 74.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.246 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 52.5 m170 -71.83 -38.82 70.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.879 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm -65.83 -40.88 92.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.639 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -88.26 -18.44 28.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.011 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.408 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.76 -45.18 66.95 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.564 -179.322 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.5 ' O ' ' CD2' ' A' ' 696' ' ' HIS . 1.3 tp10 -56.19 -47.43 78.36 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.512 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -70.96 -35.97 72.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.076 0.465 . . . . 0.0 110.175 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.529 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 4.3 t60 -59.35 -31.38 69.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.509 -178.604 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.5 ' CD2' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -65.7 -10.72 39.02 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -179.32 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -74.53 -30.21 61.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.818 0.342 . . . . 0.0 110.731 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.3 pt -122.12 -0.69 7.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.978 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 6.8 t . . . . . 0 C--N 1.331 -0.238 0 CA-C-O 120.842 0.353 . . . . 0.0 111.095 -179.718 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.593 0.235 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.653 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 23.6 t -67.59 129.13 38.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.884 0.373 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.455 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 13.9 m0 -55.49 -19.7 10.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.789 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -110.56 -62.01 1.59 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.881 0.372 . . . . 0.0 110.927 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.653 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 66.7 m -52.65 -42.09 64.38 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -178.006 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.44 -0.73 88.83 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.235 -0.983 . . . . 0.0 112.619 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -103.02 -70.03 0.77 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.845 0.355 . . . . 0.0 111.198 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.4 143.16 24.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.296 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 670' ' ' ALA . . . . . 0.423 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -101.9 -151.32 0.42 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.843 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 9.6 t 172.45 -57.5 0.01 OUTLIER 'General case' 0 N--CA 1.461 0.11 0 CA-C-O 120.835 0.35 . . . . 0.0 110.844 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -86.89 155.95 20.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.927 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 26.8 m -131.5 140.22 49.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.085 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.904 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 18.5 t -48.88 121.18 4.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.193 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 10.5 t -77.86 -15.71 58.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.059 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.62 -30.89 22.99 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.715 -0.755 . . . . 0.0 113.224 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 31.7 p -126.65 -8.08 6.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 117.219 0.51 . . . . 0.0 112.02 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 9.6 m120 55.86 25.92 9.1 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.66 0.267 . . . . 0.0 111.389 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 10.8 m -119.25 -62.85 1.46 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.844 0.354 . . . . 0.0 111.415 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.904 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -48.76 138.63 10.79 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.488 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -124.66 143.09 50.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.001 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 682' ' ' TYR . . . . . 0.432 ' CE1' ' HB2' ' A' ' 691' ' ' ASP . 95.3 m-85 -149.46 170.06 19.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.779 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 17.0 p -98.25 -15.94 19.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.352 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -162.92 179.31 38.25 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.43 -0.891 . . . . 0.0 112.807 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 1.1 m -68.23 -41.05 81.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.626 0.25 . . . . 0.0 111.391 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -60.97 -46.52 90.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.849 0.357 . . . . 0.0 110.778 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.53 -37.67 79.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.835 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 688' ' ' GLN . . . . . 0.411 ' HG3' ' CE2' ' A' ' 682' ' ' TYR . 8.9 tt0 -69.93 -34.58 73.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.445 179.527 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.68 -40.05 69.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -63.73 -44.28 94.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.7 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 691' ' ' ASP . . . . . 0.432 ' HB2' ' CE1' ' A' ' 682' ' ' TYR . 1.2 m-20 -85.75 -16.99 37.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.085 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.408 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 3.0 t-105 -52.89 -44.75 67.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.729 -179.34 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.419 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 1.1 tt0 -57.7 -47.84 81.24 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.984 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -71.53 -35.99 70.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.053 0.454 . . . . 0.0 110.499 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.689 ' CE1' HD11 ' A' ' 698' ' ' ILE . 22.2 t60 -59.17 -31.17 68.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.343 -178.679 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.419 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -62.52 -10.94 13.53 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -179.486 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -74.28 -25.84 59.84 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.646 0.26 . . . . 0.0 111.116 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 698' ' ' ILE . . . . . 0.689 HD11 ' CE1' ' A' ' 695' ' ' HIS . 2.7 pp -122.68 -0.11 6.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.503 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.331 -0.214 0 CA-C-O 120.818 0.342 . . . . 0.0 110.916 -179.883 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.631 0.253 . . . . 0.0 110.81 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.635 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 18.9 t -69.72 129.11 38.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.447 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.4 m0 -55.82 -18.9 9.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.789 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -111.36 -62.51 1.54 Allowed 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.879 0.371 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.635 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 68.4 m -52.8 -42.92 65.53 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -178.092 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.58 -0.23 88.31 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.239 -0.981 . . . . 0.0 112.604 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.43 -70.73 0.71 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.892 0.377 . . . . 0.0 111.107 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -156.89 147.23 21.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.212 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 670' ' ' ALA . . . . . 0.601 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -132.84 148.88 52.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.036 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 66.2 m -126.24 -30.88 2.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.561 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -86.73 150.37 24.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.02 0.438 . . . . 0.0 111.249 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 21.3 m -132.0 140.35 48.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.885 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.851 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 45.3 t -48.6 121.43 4.54 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.196 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 16.4 m -78.33 -15.37 58.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.049 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.5 -31.76 21.03 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.833 -0.699 . . . . 0.0 113.262 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 27.9 p -126.69 -7.33 6.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 117.372 0.586 . . . . 0.0 112.029 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 4.1 m120 56.33 25.89 9.96 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.704 0.287 . . . . 0.0 111.368 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 3.0 m -118.67 -63.25 1.43 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.339 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.851 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -51.15 148.42 4.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.234 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -134.65 143.0 47.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.943 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -149.5 166.93 27.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.983 0.421 . . . . 0.0 110.686 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 27.7 p -96.78 -15.62 21.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.331 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.41 177.47 36.83 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.371 -0.918 . . . . 0.0 112.859 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.14 -40.47 82.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.726 0.298 . . . . 0.0 111.285 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 38.0 p90 -60.85 -46.45 90.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.725 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.86 -37.5 76.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.809 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -72.21 -31.81 66.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.476 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -71.91 -41.39 67.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -34.38 77.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.828 0.346 . . . . 0.0 110.77 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.48 -20.48 21.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.906 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.408 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.79 -44.61 66.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.611 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.495 ' O ' ' CD2' ' A' ' 696' ' ' HIS . 2.7 mm-40 -56.47 -47.46 79.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.009 0.433 . . . . 0.0 110.472 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt -70.89 -36.09 72.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.107 0.479 . . . . 0.0 110.248 178.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.523 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 5.0 t60 -59.42 -31.37 69.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.526 -178.539 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -65.54 -10.24 33.24 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.405 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -74.53 -30.12 61.65 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.797 0.332 . . . . 0.0 110.857 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.2 pp -122.13 -0.59 7.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.277 -0.42 . . . . 0.0 112.085 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.6 t . . . . . 0 C--N 1.331 -0.197 0 CA-C-O 120.821 0.343 . . . . 0.0 111.069 -179.744 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 19.0 m . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.668 0.27 . . . . 0.0 110.779 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.65 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 23.4 t -68.82 129.17 39.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.843 0.354 . . . . 0.0 110.92 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.455 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.6 m0 -55.01 -19.62 7.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.835 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -111.32 -61.71 1.66 Allowed 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.835 0.35 . . . . 0.0 111.061 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.65 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 67.0 m -52.73 -42.67 65.1 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -178.074 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.12 -0.68 88.44 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.209 -0.996 . . . . 0.0 112.6 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 3.6 ttm-85 -102.29 -69.14 0.8 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.859 0.361 . . . . 0.0 111.077 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -152.13 143.17 23.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.235 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -101.98 -151.59 0.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.1 m 172.42 -57.26 0.01 OUTLIER 'General case' 0 C--N 1.334 -0.071 0 CA-C-O 120.834 0.349 . . . . 0.0 110.841 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -86.96 154.71 20.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.97 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 59.9 m -131.42 140.22 49.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.976 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.866 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 48.6 t -49.11 120.88 4.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 65.9 p -78.23 -15.21 59.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.13 -31.74 22.18 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.767 -0.73 . . . . 0.0 113.243 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.5 p -126.54 -7.51 6.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 117.321 0.561 . . . . 0.0 111.973 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 3.1 m120 55.9 26.3 9.6 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.686 0.279 . . . . 0.0 111.484 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 21.6 m -119.13 -63.1 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.289 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.866 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -49.26 139.99 10.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.327 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -128.59 140.87 51.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.018 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -147.09 171.18 15.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.695 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 17.5 p -97.92 -15.77 20.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.365 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -162.63 179.33 37.98 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.489 -0.862 . . . . 0.0 112.862 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 10.7 t -68.22 -41.37 81.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.693 0.282 . . . . 0.0 111.343 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -60.85 -46.53 90.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.761 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.7 -38.42 81.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.825 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -69.77 -34.44 73.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.385 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -71.77 -39.4 69.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -41.81 95.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.577 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -87.54 -17.9 30.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.009 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.406 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.86 -45.61 67.48 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.612 -179.292 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.502 ' O ' ' CD2' ' A' ' 696' ' ' HIS . 3.0 mt-10 -56.09 -47.43 78.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.972 0.415 . . . . 0.0 110.569 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -70.81 -35.85 72.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.195 0.522 . . . . 0.0 110.156 178.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.654 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 9.5 t60 -59.31 -31.31 69.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.534 -178.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.502 ' CD2' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -65.34 -10.4 32.59 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -179.374 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -74.36 -29.49 61.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.778 0.323 . . . . 0.0 110.694 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.1 pt -120.17 -0.35 7.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.948 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.33 -0.245 0 CA-C-O 120.907 0.384 . . . . 0.0 111.048 -179.793 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 9.3 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.608 0.242 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.656 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 21.4 t -71.44 128.95 37.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.883 0.373 . . . . 0.0 110.778 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.452 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.0 m0 -55.64 -19.33 10.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.795 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -110.71 -62.19 1.57 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.852 0.358 . . . . 0.0 110.95 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.641 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 67.4 m -52.98 -42.89 65.98 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -178.018 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.13 -0.9 88.22 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.252 -0.975 . . . . 0.0 112.483 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 4.7 ttm-85 -98.77 -68.59 0.8 Allowed 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.781 0.324 . . . . 0.0 111.151 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.25 147.85 19.66 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.297 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 670' ' ' ALA . . . . . 0.656 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -134.35 149.92 50.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.89 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 4.6 p -126.76 -31.27 2.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.657 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -86.81 149.67 24.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.013 0.435 . . . . 0.0 111.268 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 7.0 m -131.93 140.38 49.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.016 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.888 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 27.1 t -48.42 121.5 4.51 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.142 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.18 -15.46 58.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.069 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.38 -31.26 22.69 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 120.722 -0.751 . . . . 0.0 113.185 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 31.2 p -126.16 -7.67 6.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 117.216 0.508 . . . . 0.0 111.927 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 55.68 25.32 8.05 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.744 0.307 . . . . 0.0 111.358 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 1.5 m -118.25 -63.4 1.42 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.205 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.888 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -49.78 146.88 4.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.12 141.96 48.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.006 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -149.45 166.56 28.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.679 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 25.9 p -96.45 -15.49 21.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.546 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.49 177.76 36.79 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.925 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 40.3 t -68.19 -40.5 82.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.705 0.288 . . . . 0.0 111.153 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -60.96 -46.49 90.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.667 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.63 -39.72 85.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.742 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -69.42 -34.28 74.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.327 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -71.75 -39.89 69.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.92 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -64.13 -42.68 96.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.935 0.398 . . . . 0.0 110.599 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.97 -17.97 31.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.029 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.422 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -53.03 -46.01 68.26 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.27 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.495 ' O ' ' CD2' ' A' ' 696' ' ' HIS . 0.1 OUTLIER -56.84 -48.07 78.9 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.89 -179.416 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.44 -36.01 71.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.188 0.518 . . . . 0.0 110.335 178.149 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.638 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 29.5 t60 -59.57 -31.36 69.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.592 -178.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -64.33 -9.34 17.13 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.298 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -74.35 -26.57 60.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.679 0.275 . . . . 0.0 110.939 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.2 pp -122.12 -0.29 6.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.332 -0.189 0 CA-C-O 120.858 0.361 . . . . 0.0 110.846 179.918 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 48.3 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.562 0.22 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.637 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 20.4 t -69.21 129.16 39.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.951 0.405 . . . . 0.0 110.907 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.447 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.2 m0 -55.48 -18.86 7.95 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.817 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -111.83 -62.05 1.62 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.848 0.356 . . . . 0.0 110.972 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.637 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 68.2 m -52.92 -42.6 65.55 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -178.032 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.72 -0.42 88.23 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.301 -0.952 . . . . 0.0 112.578 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.29 -69.98 0.76 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.891 0.377 . . . . 0.0 111.132 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -152.29 143.37 23.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.17 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -103.91 -149.53 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 4.6 p 169.35 -53.92 0.01 OUTLIER 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.836 0.35 . . . . 0.0 110.725 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -86.93 154.91 20.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.985 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 46.8 m -131.92 140.22 48.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.988 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.864 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 43.9 t -49.0 121.21 4.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.2 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.1 -15.49 58.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 179.662 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.41 -31.81 21.16 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.806 -0.711 . . . . 0.0 113.305 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 26.9 p -126.55 -7.53 6.29 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 117.269 0.535 . . . . 0.0 112.009 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 6.4 m120 56.17 26.15 9.94 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.717 0.294 . . . . 0.0 111.419 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 2.2 m -119.1 -63.08 1.44 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.882 0.372 . . . . 0.0 111.404 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.864 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -49.74 143.93 6.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.337 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -131.21 143.52 50.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 682' ' ' TYR . . . . . 0.405 ' CE2' ' HG3' ' A' ' 688' ' ' GLN . 27.6 m-85 -149.45 168.42 23.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.742 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 18.8 p -95.7 -15.72 22.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.459 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -163.24 180.0 38.06 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.487 -0.864 . . . . 0.0 112.849 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.3 -40.42 81.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.653 0.263 . . . . 0.0 111.278 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -60.94 -46.57 90.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.822 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.13 -39.15 85.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.835 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 688' ' ' GLN . . . . . 0.405 ' HG3' ' CE2' ' A' ' 682' ' ' TYR . 45.6 tt0 -68.32 -35.5 77.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.383 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -71.72 -39.32 70.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.903 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -65.62 -41.25 92.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.571 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -87.29 -18.3 30.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.935 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.407 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.83 -45.44 67.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.684 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.496 ' O ' ' CD2' ' A' ' 696' ' ' HIS . 42.3 mt-10 -56.14 -47.51 78.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.947 0.403 . . . . 0.0 110.538 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -70.84 -35.95 72.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.164 0.507 . . . . 0.0 110.132 178.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.613 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 5.6 t60 -59.28 -31.32 69.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.555 -178.668 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.496 ' CD2' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -65.2 -10.21 29.68 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -179.407 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -74.4 -30.2 61.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.858 0.361 . . . . 0.0 110.763 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.1 pt -121.43 -0.25 7.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.908 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 11.9 t . . . . . 0 C--N 1.33 -0.25 0 CA-C-O 120.785 0.326 . . . . 0.0 111.12 -179.842 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.622 0.249 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.651 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 34.1 t -69.9 129.76 40.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.885 0.374 . . . . 0.0 110.843 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.463 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.5 m0 -54.72 -19.2 5.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.957 -179.53 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -112.62 -61.79 1.68 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.917 0.389 . . . . 0.0 111.051 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.651 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 67.5 m -52.32 -43.2 64.41 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -177.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 83.37 -2.12 87.65 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.194 -1.003 . . . . 0.0 112.542 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.28 -69.5 0.76 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.839 0.352 . . . . 0.0 111.138 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -153.52 144.69 22.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -102.33 -151.08 0.42 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.796 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 9.8 p 170.47 -55.57 0.01 OUTLIER 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.924 0.393 . . . . 0.0 110.789 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -86.91 152.97 21.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.005 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 3.9 m -130.51 140.23 50.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.155 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.914 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 16.0 t -48.76 120.88 4.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.149 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.11 -15.57 58.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.01 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -86.27 -30.49 22.24 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.766 -0.73 . . . . 0.0 113.233 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.2 p -127.16 -8.37 5.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 117.234 0.517 . . . . 0.0 112.037 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 16.8 m120 56.3 25.94 9.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.758 0.313 . . . . 0.0 111.451 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 59.4 m -119.0 -63.85 1.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.36 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.914 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -48.65 138.56 10.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.364 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.37 140.45 52.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 682' ' ' TYR . . . . . 0.422 ' CE1' ' HB2' ' A' ' 691' ' ' ASP . 81.4 m-85 -147.15 170.59 16.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.002 0.429 . . . . 0.0 110.772 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 16.6 p -96.64 -15.73 21.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.523 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -165.33 -179.03 38.91 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.453 -0.88 . . . . 0.0 112.9 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.1 -40.31 82.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.658 0.266 . . . . 0.0 111.447 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -61.0 -46.59 90.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.792 0.33 . . . . 0.0 110.77 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -61.7 -39.3 90.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.826 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -68.39 -35.47 77.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.325 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.8 -39.62 69.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -63.78 -43.89 95.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.552 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 691' ' ' ASP . . . . . 0.422 ' HB2' ' CE1' ' A' ' 682' ' ' TYR . 3.7 m-20 -85.91 -17.3 35.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.98 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.409 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.91 -45.41 67.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.706 -179.367 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.43 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 1.6 tm-20 -57.28 -47.82 80.47 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.651 -0.419 . . . . 0.0 111.014 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.55 -35.94 70.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.165 0.507 . . . . 0.0 110.495 178.276 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.67 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 20.0 t60 -59.11 -31.12 68.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.33 -178.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.43 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -62.28 -10.56 11.34 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -179.524 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -74.19 -29.99 62.0 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.733 0.302 . . . . 0.0 110.973 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.4 pt -119.96 -0.19 7.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 39.1 t . . . . . 0 C--N 1.331 -0.197 0 CA-C-O 120.868 0.366 . . . . 0.0 110.967 -179.661 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.596 0.236 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.595 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 20.5 t -71.71 129.31 38.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.866 0.365 . . . . 0.0 110.951 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.448 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.0 m0 -55.4 -19.94 10.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.794 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -111.25 -62.3 1.57 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.917 0.389 . . . . 0.0 110.955 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.595 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 84.6 m -53.47 -42.41 67.18 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -177.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.53 -1.83 86.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.189 -1.005 . . . . 0.0 112.7 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.36 -69.78 0.75 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.842 0.353 . . . . 0.0 111.064 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -153.08 143.93 22.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.094 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -101.96 -151.24 0.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 8.5 t 171.62 -56.69 0.01 OUTLIER 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.891 0.377 . . . . 0.0 110.816 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -86.97 155.03 20.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.932 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 38.2 m -131.22 140.34 49.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.089 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.906 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 40.6 t -49.08 121.53 4.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.209 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.47 -15.19 58.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.6 -31.24 22.1 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.753 -0.736 . . . . 0.0 113.19 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 30.1 p -126.82 -7.57 6.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 117.28 0.54 . . . . 0.0 111.978 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 55.92 25.94 9.22 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.587 0.232 . . . . 0.0 111.426 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 5.9 m -118.8 -62.83 1.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.278 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.906 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -48.56 140.73 7.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.377 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -129.0 142.01 51.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 682' ' ' TYR . . . . . 0.447 ' CE1' ' HB2' ' A' ' 691' ' ' ASP . 90.9 m-85 -149.41 171.82 15.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.96 0.41 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 17.7 p -99.05 -16.12 18.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.556 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.82 169.75 36.56 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.31 -0.948 . . . . 0.0 112.936 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 79.4 p -61.26 -39.82 91.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.682 0.277 . . . . 0.0 111.257 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -60.92 -46.51 90.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.875 0.369 . . . . 0.0 110.596 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -57.89 -36.61 72.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.766 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 688' ' ' GLN . . . . . 0.431 ' HG2' ' CD2' ' A' ' 682' ' ' TYR . 4.3 mt-30 -67.23 -36.87 82.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.496 179.485 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -71.72 -39.93 69.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.228 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -46.19 90.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.926 0.393 . . . . 0.0 110.698 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 691' ' ' ASP . . . . . 0.447 ' HB2' ' CE1' ' A' ' 682' ' ' TYR . 12.1 m-20 -85.92 -16.1 39.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.251 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.409 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.74 -45.51 67.05 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.629 -179.262 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.487 ' O ' ' CD2' ' A' ' 696' ' ' HIS . 4.4 mp0 -56.17 -47.42 78.29 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.661 -0.415 . . . . 0.0 110.508 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 11.4 mtpt -71.03 -35.96 72.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.058 0.456 . . . . 0.0 110.27 178.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.608 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 8.2 t60 -59.24 -31.39 69.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.557 -178.617 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.487 ' CD2' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -65.04 -10.15 27.71 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.32 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 -74.46 -28.68 61.14 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.709 0.29 . . . . 0.0 110.882 179.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.2 pp -122.14 -0.34 6.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.33 -0.243 0 CA-C-O 120.846 0.355 . . . . 0.0 110.952 -179.877 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 6.7 m . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.728 0.299 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.661 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 24.9 t -70.49 129.14 38.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.876 0.369 . . . . 0.0 110.925 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.458 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.1 m0 -55.13 -19.37 7.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.867 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -111.52 -61.64 1.67 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.865 0.364 . . . . 0.0 111.056 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.661 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 64.4 m -52.24 -44.97 65.14 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -177.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 86.48 -2.44 87.4 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 120.196 -1.002 . . . . 0.0 112.631 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -100.73 -75.47 0.58 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.863 0.363 . . . . 0.0 111.028 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 7.6 tptt -146.09 144.77 30.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.405 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -102.07 -151.79 0.43 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.884 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 18.9 p 172.69 -56.7 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 120.937 0.398 . . . . 0.0 110.756 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -87.0 155.02 20.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.02 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 63.4 m -131.94 140.24 48.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.873 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.899 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 20.1 t -49.32 120.96 4.45 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.166 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.05 -15.54 58.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.983 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -86.03 -30.53 22.76 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.257 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 29.7 p -127.32 -8.36 5.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 117.3 0.55 . . . . 0.0 111.996 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 56.25 26.34 10.32 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.658 0.266 . . . . 0.0 111.417 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 1.2 m -119.6 -62.76 1.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.386 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.899 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -49.63 139.04 13.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.404 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -126.11 143.08 51.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 682' ' ' TYR . . . . . 0.43 ' CE1' ' HB2' ' A' ' 691' ' ' ASP . 92.8 m-85 -149.47 169.83 19.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.964 0.411 . . . . 0.0 110.715 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 17.1 p -96.98 -16.26 20.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.339 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -164.26 -179.56 38.52 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.846 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 26.4 m -68.23 -40.34 82.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.643 0.259 . . . . 0.0 111.474 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -60.93 -46.68 89.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.881 0.372 . . . . 0.0 110.835 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.97 -39.18 88.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -69.82 -34.34 73.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.41 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.72 -40.2 69.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.873 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -64.37 -42.25 96.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.563 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 691' ' ' ASP . . . . . 0.43 ' HB2' ' CE1' ' A' ' 682' ' ' TYR . 0.7 OUTLIER -86.81 -17.66 32.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.932 179.771 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.408 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.89 -45.0 67.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.606 -179.355 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.427 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 1.5 mt-10 -57.45 -47.76 80.95 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.839 -179.509 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.36 -35.9 71.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.201 0.524 . . . . 0.0 110.495 178.331 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.622 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 15.1 t60 -59.06 -31.13 68.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.24 -178.551 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.427 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -62.62 -10.49 12.46 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -179.652 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 -74.12 -30.63 62.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.771 0.32 . . . . 0.0 110.98 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.2 pp -118.86 -0.13 8.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.896 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.3 t . . . . . 0 C--N 1.33 -0.244 0 CA-C-O 120.875 0.369 . . . . 0.0 111.038 -179.835 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.596 0.236 . . . . 0.0 110.771 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.65 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 28.9 t -69.18 129.28 39.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.841 0.353 . . . . 0.0 110.877 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.464 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.7 m0 -54.98 -18.87 5.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.865 -179.586 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -112.46 -62.06 1.63 Allowed 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 120.871 0.367 . . . . 0.0 110.986 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.65 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 66.5 m -52.01 -43.11 63.51 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -178.059 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 83.21 -1.44 88.69 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.247 -0.977 . . . . 0.0 112.57 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.31 -72.07 0.69 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.861 0.362 . . . . 0.0 111.143 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -149.35 143.98 26.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.186 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -101.99 -151.86 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.92 -57.47 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.882 0.373 . . . . 0.0 110.842 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -86.96 155.31 20.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.99 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 17.7 m -131.89 140.29 49.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.869 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.865 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 49.2 t -49.06 120.76 4.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.125 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.23 -15.26 58.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.069 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.24 -31.79 21.74 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.717 -0.754 . . . . 0.0 113.172 -179.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 26.8 p -126.38 -7.41 6.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 117.298 0.549 . . . . 0.0 112.01 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 56.06 26.18 9.77 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.778 0.323 . . . . 0.0 111.462 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 31.4 m -119.11 -63.37 1.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.369 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.865 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -49.07 140.78 8.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.462 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -128.14 142.53 51.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.001 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -148.98 169.64 20.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.96 0.41 . . . . 0.0 110.728 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 17.5 p -96.54 -15.59 21.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.397 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -164.5 -179.43 38.61 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.896 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.33 -40.47 81.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.569 0.223 . . . . 0.0 111.299 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -60.86 -46.77 89.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.768 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.98 -38.94 87.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -68.46 -35.23 77.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.417 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -71.88 -39.57 69.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.837 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -64.82 -42.2 95.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.643 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.88 -18.0 31.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.977 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.41 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.73 -45.44 66.98 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.654 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.498 ' O ' ' CD2' ' A' ' 696' ' ' HIS . 0.6 OUTLIER -56.17 -47.35 78.43 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.553 -179.882 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -70.87 -35.81 72.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.129 0.49 . . . . 0.0 110.165 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.676 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 8.1 t60 -59.12 -31.3 68.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.538 -0.756 . . . . 0.0 112.572 -178.757 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.498 ' CD2' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -65.05 -10.2 28.23 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -179.352 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 27.7 m80 -74.37 -29.05 61.39 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.783 0.325 . . . . 0.0 110.816 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.3 pt -121.48 0.06 7.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.973 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.8 t . . . . . 0 C--N 1.33 -0.246 0 CA-C-O 120.828 0.347 . . . . 0.0 111.106 -179.841 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.642 0.258 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.632 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 20.4 t -68.97 129.24 39.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.929 0.395 . . . . 0.0 110.823 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.457 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.2 m0 -55.66 -19.11 9.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.793 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -111.3 -62.25 1.57 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 120.818 0.342 . . . . 0.0 110.841 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.632 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 68.9 m -53.14 -42.67 66.31 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -177.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.75 -0.49 88.18 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.268 -0.967 . . . . 0.0 112.589 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.14 -71.19 0.69 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.877 0.37 . . . . 0.0 111.122 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -156.43 147.56 22.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.254 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 670' ' ' ALA . . . . . 0.623 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -133.24 149.03 52.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.93 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.5 m -126.48 -30.62 2.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.643 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -86.84 150.48 24.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.009 0.433 . . . . 0.0 111.258 -179.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 4.1 m -131.92 140.25 48.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.001 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.869 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 41.4 t -48.85 121.54 4.78 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.154 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 6.1 p -78.21 -15.48 58.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.013 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.62 -31.78 20.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.732 . . . . 0.0 113.286 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.4 p -126.7 -7.6 6.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 117.3 0.55 . . . . 0.0 112.03 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 5.2 m120 56.43 25.95 10.21 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.656 0.265 . . . . 0.0 111.359 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 59.3 m -118.73 -62.91 1.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.841 0.353 . . . . 0.0 111.234 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.869 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -50.93 147.73 4.79 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.203 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.57 142.75 47.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -149.46 166.67 28.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.65 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 27.2 p -96.19 -15.57 21.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.414 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.56 177.83 36.82 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.45 -0.881 . . . . 0.0 112.918 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 2.5 m -68.11 -40.47 82.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.68 0.276 . . . . 0.0 111.202 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -60.94 -46.41 90.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.816 0.341 . . . . 0.0 110.73 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.29 -39.32 82.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.812 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -70.36 -33.54 71.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.449 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -39.32 69.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -66.24 -39.71 89.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.691 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -88.61 -18.8 27.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.974 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.405 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.69 -45.41 66.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.704 -179.418 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.494 ' O ' ' CD2' ' A' ' 696' ' ' HIS . 31.4 mt-10 -56.42 -47.49 78.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.966 0.412 . . . . 0.0 110.58 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.93 -36.01 72.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.241 0.544 . . . . 0.0 110.301 178.121 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.561 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 6.4 t60 -59.28 -31.41 69.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.399 -0.819 . . . . 0.0 112.532 -178.584 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.494 ' CD2' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -65.16 -9.93 27.09 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.239 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -74.54 -29.76 61.5 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.763 0.316 . . . . 0.0 110.803 179.156 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.3 pp -121.62 -0.45 7.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.451 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.331 -0.229 0 CA-C-O 120.82 0.343 . . . . 0.0 111.054 -179.794 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 22.1 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.619 0.247 . . . . 0.0 110.779 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.623 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 19.7 t -72.82 129.05 37.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.45 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.4 m0 -55.45 -19.18 8.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.683 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -111.77 -62.15 1.6 Allowed 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 120.85 0.357 . . . . 0.0 110.984 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.623 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 68.1 m -52.69 -42.59 64.93 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -177.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.63 -1.51 87.78 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.205 -0.998 . . . . 0.0 112.526 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.06 -69.43 0.77 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.836 0.351 . . . . 0.0 111.046 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.32 144.42 22.97 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.194 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 670' ' ' ALA . . . . . 0.424 ' O ' ' HB3' ' A' ' 671' ' ' SER . . . -99.58 -154.77 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.941 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 671' ' ' SER . . . . . 0.424 ' HB3' ' O ' ' A' ' 670' ' ' ALA . 5.1 p 176.84 -58.95 0.01 OUTLIER 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.845 0.355 . . . . 0.0 110.648 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 672' ' ' GLU . . . . . 0.405 ' N ' ' OG ' ' A' ' 671' ' ' SER . 6.8 mm-40 -87.19 157.8 19.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.972 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 13.0 m -131.86 140.15 49.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.931 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.87 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 44.1 t -49.41 121.08 4.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.112 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 1.7 t -78.3 -15.35 58.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.052 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.38 -31.87 21.08 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 113.211 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 26.9 p -126.6 -7.57 6.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 117.365 0.583 . . . . 0.0 112.054 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 53.9 m-20 56.06 26.24 9.85 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.724 0.297 . . . . 0.0 111.499 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 57.4 m -119.64 -62.31 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.852 0.358 . . . . 0.0 111.439 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.87 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -49.48 139.32 12.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.409 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -125.53 143.45 51.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 682' ' ' TYR . . . . . 0.426 ' CE1' ' HB2' ' A' ' 691' ' ' ASP . 79.1 m-85 -149.33 168.74 22.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.66 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 17.3 p -96.84 -15.71 21.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.307 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -162.24 179.11 37.77 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.81 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.22 -41.11 81.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.68 0.276 . . . . 0.0 111.385 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -60.95 -46.5 90.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.815 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -58.55 -37.18 75.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -68.87 -35.07 76.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.367 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -71.8 -39.78 69.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -65.25 -41.81 93.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.598 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 691' ' ' ASP . . . . . 0.426 ' HB2' ' CE1' ' A' ' 682' ' ' TYR . 1.3 m-20 -86.73 -17.96 32.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.996 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.405 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.81 -45.45 67.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.542 -179.364 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.495 ' O ' ' CD2' ' A' ' 696' ' ' HIS . 1.7 mt-10 -56.13 -47.38 78.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.948 0.404 . . . . 0.0 110.527 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.82 -35.77 72.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.138 0.494 . . . . 0.0 110.162 178.227 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.625 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 4.8 t60 -59.23 -31.28 68.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.563 -178.728 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -65.27 -10.35 31.49 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.322 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 -74.55 -27.94 60.73 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.764 0.316 . . . . 0.0 110.731 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 698' ' ' ILE . . . . . 0.538 HD11 ' CE1' ' A' ' 695' ' ' HIS . 2.8 pp -124.46 0.01 5.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.996 -179.538 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 9.1 t . . . . . 0 C--N 1.33 -0.247 0 CA-C-O 120.814 0.34 . . . . 0.0 111.063 -179.763 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.65 0.262 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.612 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 17.1 t -70.75 129.25 38.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.919 0.39 . . . . 0.0 110.97 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.449 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 13.6 m0 -56.2 -18.97 11.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.742 -179.697 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -111.49 -62.42 1.55 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.79 0.329 . . . . 0.0 110.919 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.612 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 71.1 m -52.85 -42.45 65.21 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -178.048 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.69 -1.23 88.5 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.272 -0.966 . . . . 0.0 112.696 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.37 -69.15 0.78 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.844 0.355 . . . . 0.0 111.19 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -153.3 144.34 22.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.196 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -101.25 -151.86 0.42 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.994 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.2 m 172.48 -56.82 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 120.884 0.373 . . . . 0.0 110.709 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -86.96 155.93 19.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.928 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 27.1 m -129.69 140.26 51.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.015 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.889 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 32.9 t -49.75 121.72 5.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.037 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.91 -15.75 58.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.062 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.4 -31.76 21.33 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 113.204 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 31.7 p -126.34 -7.82 6.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 117.3 0.55 . . . . 0.0 111.986 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 5.4 m120 55.95 25.98 9.33 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.629 0.252 . . . . 0.0 111.392 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 57.7 m -119.75 -62.18 1.52 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.789 0.328 . . . . 0.0 111.404 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.889 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -49.05 138.35 11.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.515 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.79 143.45 49.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 682' ' ' TYR . . . . . 0.456 ' CD2' ' CG ' ' A' ' 688' ' ' GLN . 84.3 m-85 -149.49 168.8 22.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.371 . . . . 0.0 110.727 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 17.6 p -97.34 -15.69 20.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.536 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -163.03 179.1 38.47 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.373 -0.917 . . . . 0.0 113.024 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 30.8 p -68.17 -39.94 82.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.636 0.255 . . . . 0.0 111.352 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -60.88 -46.61 89.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.837 0.351 . . . . 0.0 110.659 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.68 -36.69 74.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 688' ' ' GLN . . . . . 0.456 ' CG ' ' CD2' ' A' ' 682' ' ' TYR . 22.0 mt-30 -65.72 -38.18 88.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.472 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -71.78 -39.63 69.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.13 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -61.99 -47.14 86.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.617 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -84.71 -16.3 42.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.184 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.408 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 3.0 t-105 -52.89 -45.37 67.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.781 -179.368 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.417 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 0.5 OUTLIER -57.23 -47.83 80.35 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.914 -179.431 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.4 -35.97 71.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.136 0.493 . . . . 0.0 110.598 178.301 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.534 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 7.5 t60 -59.08 -31.08 68.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.597 -0.729 . . . . 0.0 112.323 -178.654 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.417 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.0 OUTLIER -63.02 -11.25 17.9 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -179.569 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -74.23 -28.44 61.25 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.657 0.265 . . . . 0.0 110.958 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.2 pp -123.04 0.34 6.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.0 t . . . . . 0 C--N 1.33 -0.248 0 CA-C-O 120.756 0.313 . . . . 0.0 111.022 -179.867 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 7.3 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.576 0.226 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.643 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 26.6 t -69.56 129.42 39.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.911 0.386 . . . . 0.0 110.827 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.473 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.7 m0 -55.24 -19.28 7.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.817 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -111.93 -61.92 1.64 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.813 0.339 . . . . 0.0 111.035 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.643 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 66.9 m -52.41 -42.8 64.37 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -178.077 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.58 -1.31 88.12 Favored Glycine 0 CA--C 1.519 0.344 0 C-N-CA 120.224 -0.988 . . . . 0.0 112.529 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.93 -68.0 0.83 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.839 0.352 . . . . 0.0 111.039 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.08 144.01 21.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.202 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 670' ' ' ALA . . . . . 0.403 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -101.56 -151.69 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.86 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 172.76 -56.99 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.871 0.367 . . . . 0.0 110.831 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -86.89 155.84 20.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.003 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 82.2 m -131.79 140.19 49.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.904 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.897 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 27.7 t -49.6 120.67 4.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.061 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 14.9 m -77.93 -15.41 59.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.067 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -86.11 -30.72 22.06 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.736 -0.745 . . . . 0.0 113.206 -179.495 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.0 p -127.27 -8.29 5.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 117.32 0.56 . . . . 0.0 112.076 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 56.48 26.33 10.76 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.63 0.252 . . . . 0.0 111.427 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 57.0 m -119.45 -62.61 1.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.402 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.897 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -49.76 138.55 14.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.467 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 4.1 ttt-85 -126.13 142.88 51.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.943 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 682' ' ' TYR . . . . . 0.425 ' CE1' ' HB2' ' A' ' 691' ' ' ASP . 77.1 m-85 -149.44 169.68 20.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.933 0.396 . . . . 0.0 110.719 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 16.9 p -97.09 -15.59 20.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.409 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -163.44 179.9 38.26 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.397 -0.906 . . . . 0.0 112.842 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 93.9 p -68.19 -41.32 81.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.717 0.294 . . . . 0.0 111.352 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -60.86 -46.58 90.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.749 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.93 -38.67 83.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 688' ' ' GLN . . . . . 0.404 ' HG3' ' CE2' ' A' ' 682' ' ' TYR . 12.1 tt0 -69.17 -34.66 75.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.305 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -71.88 -39.92 69.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -65.06 -41.06 95.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.544 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 691' ' ' ASP . . . . . 0.425 ' HB2' ' CE1' ' A' ' 682' ' ' TYR . 1.9 m-20 -87.24 -18.46 30.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.925 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.406 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 3.0 t-105 -52.97 -45.45 67.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.677 -179.406 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.423 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 1.3 mt-10 -56.73 -47.89 79.0 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.77 -179.496 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 694' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 695' ' ' HIS . 11.1 pttp -71.36 -35.84 71.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.093 0.473 . . . . 0.0 110.493 178.296 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.66 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 10.4 t60 -59.01 -31.15 68.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.366 -178.645 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.423 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -62.72 -10.69 13.59 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -179.546 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -74.22 -31.64 62.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.671 0.272 . . . . 0.0 110.909 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.5 pp -118.55 0.25 8.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.911 -179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.33 -0.244 0 CA-C-O 120.805 0.336 . . . . 0.0 111.056 -179.828 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 45.9 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.633 0.254 . . . . 0.0 110.758 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.698 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 19.7 t -66.38 129.48 39.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.837 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.45 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 12.7 m0 -55.92 -18.67 9.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.686 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -111.89 -62.47 1.56 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.866 0.365 . . . . 0.0 110.84 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.624 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 71.4 m -53.05 -42.32 65.67 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.053 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.7 -0.6 87.97 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 120.272 -0.966 . . . . 0.0 112.596 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.68 -70.06 0.74 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.876 0.369 . . . . 0.0 111.116 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -156.59 146.55 21.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.12 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 670' ' ' ALA . . . . . 0.698 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -131.66 147.95 52.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.967 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.43 -31.66 2.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.495 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -86.85 150.59 24.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.092 0.472 . . . . 0.0 111.054 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 28.6 m -131.85 140.32 49.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.045 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.888 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 49.8 t -48.6 121.09 4.2 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.128 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 10.7 t -78.35 -15.37 58.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.109 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.09 -32.21 21.13 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.752 -0.737 . . . . 0.0 113.262 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 26.9 p -126.16 -7.0 6.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 117.315 0.557 . . . . 0.0 112.015 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 6.5 m120 56.09 26.03 9.65 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.717 0.294 . . . . 0.0 111.328 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 3.1 m -118.85 -62.87 1.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.332 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.888 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -50.78 148.9 3.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.33 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.11 142.96 47.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 682' ' ' TYR . . . . . 0.408 ' CE2' ' HG3' ' A' ' 688' ' ' GLN . 47.2 m-85 -149.52 165.73 31.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.933 0.397 . . . . 0.0 110.631 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 24.9 p -95.66 -15.43 22.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.564 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -161.31 178.14 37.36 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.367 -0.92 . . . . 0.0 112.961 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.13 -39.67 82.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.699 0.285 . . . . 0.0 111.246 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -60.94 -46.54 90.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.593 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.83 -38.28 78.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 688' ' ' GLN . . . . . 0.408 ' HG3' ' CE2' ' A' ' 682' ' ' TYR . 41.7 tt0 -67.99 -35.81 78.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.311 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -71.89 -39.43 69.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.824 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -40.84 90.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.566 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -86.87 -18.38 31.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.924 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.445 ' CZ3' ' HB3' ' A' ' 696' ' ' HIS . 2.9 t-105 -52.84 -45.12 67.19 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.605 -179.393 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.501 ' O ' ' CD2' ' A' ' 696' ' ' HIS . 0.1 OUTLIER -56.16 -47.37 78.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.046 0.45 . . . . 0.0 110.442 -179.845 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.04 -35.92 72.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.191 0.52 . . . . 0.0 110.343 178.205 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.606 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 3.3 t60 -59.63 -31.65 69.7 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 113.218 0.822 . . . . 0.0 113.218 -178.266 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.501 ' CD2' ' O ' ' A' ' 693' ' ' GLU . 0.5 OUTLIER -67.63 -9.15 40.52 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.814 -179.228 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -74.4 -30.44 61.95 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.816 0.341 . . . . 0.0 110.51 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.2 pt -123.77 -0.26 6.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.935 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 9.6 t . . . . . 0 C--N 1.331 -0.204 0 CA-C-O 120.877 0.37 . . . . 0.0 110.964 -179.799 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.64 0.257 . . . . 0.0 110.7 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.652 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 25.6 t -71.19 129.1 38.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.9 0.381 . . . . 0.0 110.932 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.465 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.4 m0 -54.62 -19.34 5.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.847 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -112.24 -61.59 1.7 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.835 0.35 . . . . 0.0 111.061 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.652 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 64.4 m -52.27 -43.18 64.26 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -177.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.67 -1.24 88.43 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.158 -1.02 . . . . 0.0 112.538 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.35 -67.9 0.84 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.889 0.376 . . . . 0.0 111.202 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -154.12 143.78 21.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.252 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -100.34 -152.94 0.43 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.2 m 173.69 -58.59 0.01 OUTLIER 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.842 0.353 . . . . 0.0 110.766 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -86.97 154.79 20.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.028 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 48.8 m -131.75 140.22 49.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.985 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.854 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 33.4 t -49.04 120.6 4.04 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.126 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.96 -15.4 59.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.043 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.53 -30.93 23.12 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.8 -0.714 . . . . 0.0 113.189 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.7 p -126.94 -7.97 6.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 117.199 0.5 . . . . 0.0 112.055 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 16.8 m120 55.87 26.4 9.65 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.68 0.276 . . . . 0.0 111.413 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 2.0 m -119.09 -63.86 1.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.367 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.854 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -48.82 136.51 13.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.557 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -123.68 142.62 50.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 682' ' ' TYR . . . . . 0.424 ' CE1' ' HB2' ' A' ' 691' ' ' ASP . 98.0 m-85 -149.41 170.66 18.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.94 0.4 . . . . 0.0 110.791 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 16.9 p -97.37 -16.26 20.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.324 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -164.28 -179.39 38.43 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.861 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 12.1 m -68.23 -40.66 81.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.751 0.31 . . . . 0.0 111.474 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -60.97 -46.68 89.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.868 0.366 . . . . 0.0 110.838 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -61.31 -39.28 89.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 688' ' ' GLN . . . . . 0.42 ' HG3' ' CD2' ' A' ' 682' ' ' TYR . 51.3 tt0 -70.43 -34.37 72.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.436 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 52.2 m170 -71.88 -39.58 69.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.014 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.26 -44.39 91.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.621 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 691' ' ' ASP . . . . . 0.424 ' HB2' ' CE1' ' A' ' 682' ' ' TYR . 8.4 m-20 -85.31 -17.2 37.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.038 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.406 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.78 -45.45 67.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.676 -179.308 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.493 ' O ' ' CD2' ' A' ' 696' ' ' HIS . 2.0 tt0 -56.27 -47.35 78.76 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.596 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.93 -35.89 72.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.137 0.494 . . . . 0.0 110.154 178.118 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.666 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 19.3 t60 -59.19 -31.23 68.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.484 -0.78 . . . . 0.0 112.6 -178.668 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.493 ' CD2' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -64.28 -9.76 19.56 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -179.343 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -74.36 -28.45 61.13 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.725 0.297 . . . . 0.0 110.887 179.268 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.1 pt -119.71 -0.45 8.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.989 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 3.8 t . . . . . 0 C--N 1.331 -0.206 0 CA-C-O 120.931 0.395 . . . . 0.0 111.034 -179.797 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.731 0.3 . . . . 0.0 110.743 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.677 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 17.8 t -65.1 129.16 38.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.816 0.341 . . . . 0.0 110.819 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.451 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 12.8 m0 -56.12 -18.76 10.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.703 -179.597 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -111.44 -62.61 1.53 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.859 0.362 . . . . 0.0 110.776 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.618 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 75.9 m -53.47 -42.07 66.85 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -178.035 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.91 -0.57 88.28 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.165 -1.017 . . . . 0.0 112.563 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.81 -70.42 0.72 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.879 0.371 . . . . 0.0 111.291 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.52 147.33 21.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.156 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 670' ' ' ALA . . . . . 0.677 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -131.05 147.14 52.59 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.011 179.757 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.02 -32.16 3.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.409 -179.696 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -86.77 151.71 23.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.937 0.399 . . . . 0.0 111.143 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 83.4 m -131.87 140.25 49.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.976 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.873 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 44.3 t -49.03 121.76 5.13 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.152 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 78.9 p -78.08 -15.61 58.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.039 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.66 -31.78 20.5 Favored Glycine 0 C--N 1.333 0.365 0 C-N-CA 120.789 -0.72 . . . . 0.0 113.284 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 29.2 p -126.73 -7.51 6.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 117.266 0.533 . . . . 0.0 112.09 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 56.19 26.07 9.89 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.78 0.324 . . . . 0.0 111.426 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 58.7 m -119.08 -62.23 1.54 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.321 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.873 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -51.18 148.23 4.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.294 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 2.6 mmt85 -133.63 143.7 48.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.93 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -149.46 165.42 32.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.927 0.394 . . . . 0.0 110.711 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 25.7 p -95.62 -15.32 22.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.337 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.55 177.47 36.96 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.447 -0.882 . . . . 0.0 112.881 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 30.0 m -68.06 -39.99 82.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.688 0.28 . . . . 0.0 111.215 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -60.97 -46.44 90.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.674 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.01 -37.51 74.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -67.93 -35.77 79.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.43 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -71.83 -39.38 69.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.882 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 28.9 mmtt -64.75 -42.86 94.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.536 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -86.2 -17.79 33.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.965 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.435 ' CZ3' ' HB3' ' A' ' 696' ' ' HIS . 2.9 t-105 -52.72 -45.4 66.92 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.608 -179.324 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.497 ' O ' ' CD2' ' A' ' 696' ' ' HIS . 1.1 tt0 -56.16 -47.46 78.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.037 0.446 . . . . 0.0 110.524 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.98 -36.06 72.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.094 0.473 . . . . 0.0 110.413 178.227 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.588 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 4.1 t60 -59.55 -31.68 69.64 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 -178.18 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.497 ' CD2' ' O ' ' A' ' 693' ' ' GLU . 0.4 OUTLIER -67.25 -9.2 38.2 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.884 -179.079 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -74.64 -28.62 60.94 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.745 0.307 . . . . 0.0 110.652 178.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.7 pp -124.2 -0.51 5.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.7 t . . . . . 0 C--N 1.332 -0.178 0 CA-C-O 120.783 0.325 . . . . 0.0 110.943 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 69.7 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.645 0.26 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.661 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 18.8 t -70.86 129.45 39.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.35 . . . . 0.0 110.822 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.449 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 12.8 m0 -56.3 -18.86 11.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.764 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -111.72 -62.93 1.48 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.868 0.366 . . . . 0.0 110.806 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.603 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 77.4 m -52.86 -42.49 65.27 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -178.048 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.75 -1.2 86.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.219 -0.991 . . . . 0.0 112.666 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -96.69 -68.87 0.78 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.93 0.395 . . . . 0.0 111.162 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.68 147.49 18.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.129 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 670' ' ' ALA . . . . . 0.661 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -132.48 148.53 52.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.0 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 44.9 p -125.61 -31.43 2.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.528 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -86.75 151.27 23.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.021 0.439 . . . . 0.0 111.095 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 31.9 m -131.91 140.28 49.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.03 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.907 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 46.4 t -48.7 121.44 4.61 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.089 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 11.3 m -78.52 -15.34 58.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.016 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.33 -32.16 20.52 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 120.786 -0.721 . . . . 0.0 113.254 -179.375 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.7 p -125.85 -6.98 6.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 117.322 0.561 . . . . 0.0 111.926 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 55.87 25.57 8.7 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.746 0.308 . . . . 0.0 111.385 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 59.8 m -118.19 -63.73 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.186 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.907 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -49.28 146.56 3.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.272 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.54 142.11 46.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 682' ' ' TYR . . . . . 0.461 ' CD1' ' HG2' ' A' ' 688' ' ' GLN . 86.9 m-85 -149.48 174.35 12.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.001 0.429 . . . . 0.0 110.827 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 25.8 p -102.45 -15.37 16.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.843 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -157.97 174.8 35.28 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.227 -0.987 . . . . 0.0 113.149 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 1.1 m -68.19 -39.71 82.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.702 0.287 . . . . 0.0 111.103 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -60.81 -45.47 94.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.469 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 2.3 m -57.74 -36.48 72.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.807 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 688' ' ' GLN . . . . . 0.461 ' HG2' ' CD1' ' A' ' 682' ' ' TYR . 74.8 mt-30 -66.76 -36.88 83.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.543 179.429 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -71.77 -39.44 69.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.123 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -63.04 -44.92 94.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.788 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 691' ' ' ASP . . . . . 0.406 ' HB2' ' CE2' ' A' ' 682' ' ' TYR . 0.9 OUTLIER -86.71 -16.66 35.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.199 179.872 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.404 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.61 -45.37 66.54 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.631 -179.28 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.49 ' O ' ' CD2' ' A' ' 696' ' ' HIS . 3.1 mt-10 -56.13 -47.4 78.24 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.577 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.93 -36.0 72.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.044 0.449 . . . . 0.0 110.273 178.133 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.528 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 3.7 t60 -59.3 -31.48 69.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.626 -0.716 . . . . 0.0 112.536 -178.552 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.49 ' CD2' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -65.95 -10.41 38.86 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.634 -179.503 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 59.5 m80 -74.39 -30.2 61.86 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.837 0.351 . . . . 0.0 110.81 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.5 pp -124.16 0.02 5.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.123 -179.421 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.331 -0.208 0 CA-C-O 120.881 0.372 . . . . 0.0 111.071 -179.799 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 6.6 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.688 0.28 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.673 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 18.5 t -66.57 129.02 38.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.863 0.363 . . . . 0.0 110.764 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.451 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 13.1 m0 -55.65 -18.88 8.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.722 -179.652 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -111.62 -62.32 1.57 Allowed 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.874 0.369 . . . . 0.0 110.83 -179.876 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.633 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 69.3 m -53.13 -42.47 66.09 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -178.036 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.22 -0.82 88.43 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.264 -0.97 . . . . 0.0 112.567 -179.561 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.03 -71.42 0.68 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.864 0.364 . . . . 0.0 111.085 -179.932 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.69 147.75 23.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.221 -179.862 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 670' ' ' ALA . . . . . 0.673 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -131.14 147.12 52.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.922 179.851 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 43.8 m -124.68 -32.55 3.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.441 -179.759 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -86.86 151.13 23.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.997 0.427 . . . . 0.0 111.158 -179.535 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 26.8 m -131.82 140.22 49.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.976 -179.616 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.894 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 42.3 t -48.96 121.47 4.78 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.243 179.872 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.3 -15.53 58.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.024 179.7 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.43 -31.99 20.64 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.696 -0.764 . . . . 0.0 113.232 -179.424 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 27.3 p -126.38 -7.39 6.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 117.312 0.556 . . . . 0.0 112.013 -179.697 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 56.35 25.9 10.0 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.695 0.284 . . . . 0.0 111.403 179.757 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 2.0 m -118.8 -62.94 1.46 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.338 -179.676 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.894 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -50.22 146.83 4.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.318 -179.83 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 4.6 mmt85 -132.42 142.36 49.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 682' ' ' TYR . . . . . 0.438 ' CE2' ' HG2' ' A' ' 688' ' ' GLN . 91.0 m-85 -149.61 166.48 29.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.927 0.394 . . . . 0.0 110.742 179.872 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 28.6 p -96.37 -15.76 21.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.439 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.16 177.04 36.78 Favored Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.36 -0.924 . . . . 0.0 112.901 -179.639 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 5.7 p -68.13 -39.92 82.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.664 0.268 . . . . 0.0 111.245 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -60.85 -46.51 90.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.596 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.61 -37.94 76.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 688' ' ' GLN . . . . . 0.438 ' HG2' ' CE2' ' A' ' 682' ' ' TYR . 0.5 OUTLIER -70.33 -34.32 72.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.425 179.482 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -71.76 -39.63 69.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -65.03 -42.05 94.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.604 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.02 -17.86 31.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.994 179.808 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.408 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.76 -45.22 66.99 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.621 -179.433 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.413 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 7.3 tt0 -56.2 -47.34 78.56 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.486 -179.813 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -71.15 -35.95 71.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.499 178.261 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.513 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 3.9 t60 -59.08 -31.14 68.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.367 -178.527 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.413 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.0 OUTLIER -63.28 -10.76 17.39 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -179.617 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -74.32 -36.3 63.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.726 0.298 . . . . 0.0 111.123 179.551 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.6 pp -117.33 0.19 8.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -179.428 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.9 t . . . . . 0 C--N 1.331 -0.197 0 CA-C-O 120.799 0.333 . . . . 0.0 111.021 -179.82 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.676 0.274 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.706 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 19.8 t -63.0 129.45 40.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.903 0.383 . . . . 0.0 110.779 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.464 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 13.6 m0 -55.56 -19.33 9.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.766 -179.698 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -111.59 -62.28 1.58 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.886 0.374 . . . . 0.0 110.917 -179.813 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.616 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 72.4 m -53.48 -42.25 67.04 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -178.032 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 83.04 -1.35 88.83 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.227 -0.987 . . . . 0.0 112.477 -179.457 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.56 -73.98 0.57 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.884 0.373 . . . . 0.0 111.081 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -152.98 146.83 25.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.142 -179.669 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 670' ' ' ALA . . . . . 0.706 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -128.01 144.9 51.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 179.69 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 2.9 m -123.84 -34.2 3.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.347 -179.72 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -86.81 151.04 23.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.979 0.419 . . . . 0.0 111.13 -179.542 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 25.8 m -131.94 140.2 48.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.007 -179.748 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.865 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 40.2 t -48.59 121.71 4.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.241 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 65.1 m -78.39 -15.56 58.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.978 179.701 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.23 -32.68 19.5 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 113.298 -179.41 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 30.4 p -125.68 -7.0 6.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 117.326 0.563 . . . . 0.0 112.036 -179.773 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 11.4 m120 55.91 25.72 8.95 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.751 0.31 . . . . 0.0 111.402 179.775 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 17.2 m -118.5 -63.53 1.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.321 -179.731 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.865 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -50.56 148.03 4.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.255 -179.886 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 -134.62 144.22 47.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -149.48 166.38 29.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.711 179.866 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 24.3 p -94.83 -15.59 23.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.372 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.99 178.28 37.02 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.82 -179.711 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.12 -39.93 82.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.728 0.299 . . . . 0.0 111.297 -179.905 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -60.89 -46.45 90.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.842 -179.795 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.71 -38.16 77.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.914 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -68.83 -35.33 76.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.399 179.458 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 51.9 m170 -71.95 -39.31 69.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.861 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 3.4 mttm -64.77 -43.75 92.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.573 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -85.85 -17.26 36.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.022 179.756 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.412 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.72 -45.23 66.86 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.642 -179.314 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.503 ' O ' ' CD2' ' A' ' 696' ' ' HIS . 5.4 tp10 -56.24 -47.54 78.29 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.527 -179.767 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -70.89 -36.06 72.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.147 0.498 . . . . 0.0 110.181 178.176 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.589 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 4.9 t60 -59.33 -31.42 69.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.527 -0.76 . . . . 0.0 112.509 -178.636 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.503 ' CD2' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -65.72 -10.74 39.48 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.607 -179.442 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 56.3 m80 -74.59 -29.6 61.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.775 0.322 . . . . 0.0 110.777 179.088 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.1 pt -122.61 -0.67 6.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.98 -179.45 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.4 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 120.885 0.374 . . . . 0.0 110.861 -179.938 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.649 0.262 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.651 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 18.6 t -67.52 128.99 38.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.923 0.392 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.457 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.8 m0 -56.03 -18.77 10.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.767 -179.637 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -111.2 -62.35 1.56 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.853 0.359 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.651 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 64.9 m -51.97 -45.84 64.58 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -178.084 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 86.8 -1.27 86.91 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.222 -0.99 . . . . 0.0 112.716 -179.703 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -99.07 -75.46 0.56 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.894 0.378 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -150.11 147.99 28.44 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.557 -179.674 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 670' ' ' ALA . . . . . 0.621 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -132.83 148.7 52.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.884 179.61 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.09 -31.01 2.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.635 -179.673 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -86.82 150.06 24.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.023 0.439 . . . . 0.0 111.228 -179.432 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 12.8 m -131.86 140.3 49.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.952 -179.821 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.874 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 42.2 t -49.22 121.4 4.86 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.196 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 42.7 t -78.28 -15.52 58.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.026 179.717 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.38 -31.93 20.92 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 113.289 -179.447 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 27.7 p -126.51 -7.54 6.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 117.297 0.548 . . . . 0.0 112.047 -179.746 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 10.8 m120 56.52 26.0 10.44 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.724 0.297 . . . . 0.0 111.416 179.772 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.91 -62.81 1.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.284 -179.606 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.874 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -51.16 147.8 5.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.201 -179.912 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -134.6 142.73 47.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.929 -179.867 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -149.55 166.0 30.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.667 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 26.1 p -95.33 -15.69 22.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.477 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -161.54 178.58 37.38 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.992 -179.797 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 52.1 p -68.16 -40.31 82.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.664 0.269 . . . . 0.0 111.224 -179.875 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -60.86 -46.47 90.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.731 -179.844 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.35 -39.84 88.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.844 179.785 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -69.89 -34.13 73.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.43 179.467 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -71.81 -38.98 70.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.888 179.835 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 6.1 mtpp -65.4 -41.49 93.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.652 179.807 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -87.59 -18.37 29.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.092 179.738 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.409 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.79 -45.29 67.11 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.634 -179.374 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.426 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 3.5 tt0 -56.18 -47.38 78.4 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.599 -179.786 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -71.25 -36.0 71.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.485 178.19 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.526 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 5.3 t60 -59.18 -31.21 68.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.336 -178.599 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.426 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -62.43 -10.99 13.25 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -179.459 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -74.11 -40.91 62.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.721 0.296 . . . . 0.0 110.973 179.62 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.7 pp -110.51 -0.36 9.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.474 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 9.1 t . . . . . 0 C--N 1.331 -0.238 0 CA-C-O 120.812 0.339 . . . . 0.0 111.067 -179.715 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.626 0.25 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.695 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 15.7 t -64.65 129.01 38.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.894 0.378 . . . . 0.0 110.863 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.449 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 12.9 m0 -56.07 -18.91 10.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.701 -179.686 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -111.29 -62.58 1.53 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.869 0.366 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.603 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 87.1 m -53.89 -41.77 67.93 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -178.066 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.23 -0.37 87.7 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.195 -1.002 . . . . 0.0 112.612 -179.586 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.81 -67.41 0.85 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.902 0.382 . . . . 0.0 111.195 -179.871 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.54 146.76 16.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.265 -179.734 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 670' ' ' ALA . . . . . 0.695 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -129.08 145.25 51.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.946 179.78 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.41 -34.19 3.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.321 -179.798 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -86.81 152.12 22.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.942 0.401 . . . . 0.0 111.066 -179.674 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 48.4 m -131.92 140.26 48.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.033 -179.624 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.864 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 39.9 t -48.78 121.99 5.21 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.38 -15.63 58.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.022 179.633 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.2 -32.63 19.7 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.833 -0.699 . . . . 0.0 113.257 -179.394 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 31.0 p -125.65 -7.11 6.82 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 117.277 0.538 . . . . 0.0 111.951 -179.684 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 55.81 25.38 8.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.712 0.291 . . . . 0.0 111.43 179.701 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 7.2 m -118.24 -63.65 1.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.206 -179.661 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.864 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -49.65 146.5 4.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.285 -179.923 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 5.4 mtt85 -133.46 142.8 48.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 682' ' ' TYR . . . . . 0.478 ' CD2' ' HG2' ' A' ' 688' ' ' GLN . 87.2 m-85 -149.51 170.11 19.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.946 0.403 . . . . 0.0 110.81 179.929 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 28.6 p -98.48 -15.36 19.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.763 -179.665 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -159.63 176.48 36.37 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.288 -0.958 . . . . 0.0 113.159 -179.641 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 65.6 p -68.18 -39.2 82.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.691 0.282 . . . . 0.0 111.294 -179.871 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -60.7 -46.25 91.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.914 0.387 . . . . 0.0 110.559 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 687' ' ' CYS . . . . . 0.5 ' O ' ' HG2' ' A' ' 690' ' ' LYS . 2.0 m -57.76 -36.28 71.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.737 179.753 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 688' ' ' GLN . . . . . 0.478 ' HG2' ' CD2' ' A' ' 682' ' ' TYR . 63.8 mt-30 -69.01 -36.51 77.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.408 179.427 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.01 -42.25 66.62 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.385 -179.876 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 690' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 687' ' ' CYS . 0.8 OUTLIER -64.91 -38.76 92.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.93 0.395 . . . . 0.0 110.641 -179.864 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -88.8 -18.21 28.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.976 179.654 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.407 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.78 -44.39 66.53 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.594 -179.423 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.486 ' O ' ' CD2' ' A' ' 696' ' ' HIS . 2.2 tt0 -56.86 -47.46 80.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.961 0.41 . . . . 0.0 110.564 -179.922 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -71.05 -36.03 72.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.172 0.511 . . . . 0.0 110.352 178.253 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.534 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 3.6 t60 -59.3 -31.34 69.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.624 -178.666 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.486 ' CD2' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -65.55 -9.84 29.96 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.284 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -74.55 -30.32 61.7 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.713 0.292 . . . . 0.0 110.823 179.175 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.6 pp -124.16 0.17 5.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -179.381 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 6.1 t . . . . . 0 C--N 1.33 -0.265 0 CA-C-O 120.799 0.333 . . . . 0.0 111.001 -179.856 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 662' ' ' SER . . . . . 0.401 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.74 0.305 . . . . 0.0 110.839 . . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.649 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 20.7 t -69.84 129.14 38.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.882 0.372 . . . . 0.0 110.807 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.453 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.7 m0 -55.6 -19.06 9.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.745 -179.656 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -111.34 -62.45 1.55 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.777 0.322 . . . . 0.0 110.887 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.644 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 66.7 m -52.24 -42.64 63.79 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -178.078 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.41 -1.16 88.18 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.227 -0.987 . . . . 0.0 112.537 -179.537 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.03 -72.41 0.65 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.903 0.382 . . . . 0.0 111.164 -179.893 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 669' ' ' LYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 2.3 tppt? -154.32 148.08 25.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.278 -179.797 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 670' ' ' ALA . . . . . 0.649 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -131.97 147.94 52.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.949 179.717 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.09 -33.23 2.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.484 -179.762 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -86.76 149.72 24.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.053 0.454 . . . . 0.0 111.155 -179.503 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 62.8 m -131.84 140.3 49.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.038 -179.651 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.89 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 36.7 t -48.49 121.08 4.14 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.145 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 65.5 m -78.27 -15.24 58.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.112 179.731 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.23 -31.53 22.42 Favored Glycine 0 C--N 1.332 0.361 0 C-N-CA 120.724 -0.751 . . . . 0.0 113.22 -179.478 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 30.7 p -126.32 -7.31 6.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 117.231 0.516 . . . . 0.0 112.013 -179.79 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 24.8 m120 55.84 25.74 8.85 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.712 0.291 . . . . 0.0 111.357 179.721 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 3.0 m -118.77 -62.81 1.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.304 -179.679 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.89 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -49.93 143.96 7.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.293 -179.872 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -129.59 140.96 51.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 -179.927 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -149.45 167.8 25.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.952 0.406 . . . . 0.0 110.774 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 27.0 p -97.46 -16.11 20.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.556 -179.855 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -161.05 177.9 37.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.351 -0.928 . . . . 0.0 113.012 -179.649 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 10.1 m -68.12 -40.03 82.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.727 0.299 . . . . 0.0 111.255 -179.914 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -60.94 -46.43 90.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.835 0.35 . . . . 0.0 110.638 -179.866 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.95 -39.31 85.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.763 179.79 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -69.45 -34.69 74.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.363 179.443 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -71.76 -39.36 70.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.791 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -42.86 96.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.574 179.817 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -87.18 -17.81 31.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.052 179.845 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.413 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.78 -45.48 67.15 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.665 -179.365 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.415 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 2.4 tt0 -56.13 -47.4 78.23 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.533 -179.699 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -71.26 -35.98 71.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.488 178.206 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.498 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 6.1 t60 -59.12 -31.23 68.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.326 -178.55 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.415 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -63.14 -11.59 21.5 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -179.442 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -74.43 -28.71 61.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.661 0.267 . . . . 0.0 111.019 179.567 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.1 pt -122.64 -0.59 6.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.334 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.847 0.356 . . . . 0.0 110.96 -179.702 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.61 0.243 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.7 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 27.4 t -66.76 129.55 40.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.882 0.372 . . . . 0.0 110.779 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.463 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.5 m0 -55.31 -19.03 7.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.835 -179.6 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -111.88 -62.51 1.55 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.96 0.409 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.637 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 68.8 m -52.54 -43.14 64.98 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -178.096 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.23 -0.83 88.43 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.197 -1.001 . . . . 0.0 112.558 -179.531 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.48 -67.83 0.83 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.867 0.365 . . . . 0.0 111.151 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -159.03 147.5 18.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.297 -179.789 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 670' ' ' ALA . . . . . 0.7 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -131.3 147.29 52.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.924 179.737 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.27 -32.67 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.468 -179.642 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -86.8 149.85 24.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.034 0.445 . . . . 0.0 111.177 -179.468 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 33.0 m -132.0 140.18 48.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.041 -179.696 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.878 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 41.3 t -48.54 121.31 4.39 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.224 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.56 -15.25 58.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.075 179.69 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.2 -32.19 20.83 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 120.69 -0.767 . . . . 0.0 113.212 -179.392 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 29.4 p -125.87 -7.15 6.69 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 117.272 0.536 . . . . 0.0 112.007 -179.742 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 3.7 m120 56.06 25.87 9.41 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.771 0.32 . . . . 0.0 111.352 179.763 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 5.9 m -118.55 -63.4 1.41 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.27 -179.678 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.878 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -50.02 147.8 3.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.312 -179.864 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -134.52 141.88 46.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.885 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 682' ' ' TYR . . . . . 0.414 ' CE2' ' HG3' ' A' ' 688' ' ' GLN . 77.8 m-85 -149.5 166.72 28.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.684 179.841 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 27.3 p -95.86 -15.57 22.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.473 -179.877 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -161.09 177.96 37.24 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.386 -0.911 . . . . 0.0 112.935 -179.707 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.16 -40.32 82.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.676 0.274 . . . . 0.0 111.213 -179.887 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -60.93 -46.36 90.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.37 . . . . 0.0 110.675 -179.876 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.0 -39.56 86.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.776 179.855 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 688' ' ' GLN . . . . . 0.414 ' HG3' ' CE2' ' A' ' 682' ' ' TYR . 42.9 tt0 -68.96 -34.34 75.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.43 179.417 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.75 -39.24 70.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.952 179.781 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -64.99 -41.72 95.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.581 179.869 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.74 -18.4 29.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.982 179.848 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.411 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.77 -45.41 67.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.581 -179.344 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.414 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 2.8 tt0 -56.07 -47.38 78.06 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.599 -179.746 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -71.29 -35.88 71.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.159 0.504 . . . . 0.0 110.54 178.227 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.55 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 6.8 t60 -59.2 -31.11 68.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.387 -178.589 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.414 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -63.29 -11.13 19.48 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -179.643 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -74.37 -28.95 61.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.682 0.277 . . . . 0.0 111.034 179.48 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.5 pt -122.33 -0.32 6.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -179.391 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.331 -0.228 0 CA-C-O 120.864 0.364 . . . . 0.0 111.02 -179.733 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.657 0.265 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.629 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 21.5 t -70.21 129.09 38.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.913 0.387 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.453 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.4 m0 -55.47 -19.36 9.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.786 -179.579 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -111.52 -61.96 1.62 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.851 0.358 . . . . 0.0 111.062 -179.809 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.629 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 67.9 m -52.82 -42.44 65.12 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -178.024 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.77 -1.45 88.2 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.217 -0.992 . . . . 0.0 112.511 -179.521 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.14 -69.06 0.78 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.945 0.402 . . . . 0.0 111.198 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 11.6 tptt -153.72 144.3 22.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.198 -179.822 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -100.5 -152.59 0.43 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.839 179.821 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 173.42 -57.83 0.01 OUTLIER 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.874 0.368 . . . . 0.0 110.792 179.911 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -86.97 155.46 20.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.978 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 69.3 m -129.75 140.2 51.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.999 -179.616 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.901 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 41.6 t -49.64 121.53 5.28 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.835 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 80.9 p -77.83 -15.71 58.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.096 179.627 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.19 -31.82 21.81 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.728 -0.749 . . . . 0.0 113.192 -179.435 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 29.2 p -126.82 -7.52 6.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 117.35 0.575 . . . . 0.0 112.043 -179.777 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 55.98 26.43 9.9 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.68 0.276 . . . . 0.0 111.48 179.674 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 2.0 m -120.04 -61.72 1.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 0.0 111.387 -179.589 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.901 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -49.07 137.74 12.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.552 -179.68 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 4.9 mmt85 -122.49 143.1 49.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -149.45 167.71 25.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.687 179.837 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 16.9 p -96.83 -15.94 21.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.299 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -162.85 179.54 38.05 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.837 -179.721 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 28.1 p -68.15 -40.79 82.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.708 0.29 . . . . 0.0 111.412 -179.731 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -60.91 -46.52 90.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.805 0.335 . . . . 0.0 110.847 -179.719 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.08 -37.65 77.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.899 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -69.07 -35.33 76.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.503 179.458 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -71.77 -40.08 69.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.729 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 16.5 mmtm -64.55 -43.05 95.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.612 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -85.79 -17.71 35.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.979 179.786 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.407 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.86 -45.74 67.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.671 -179.377 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.423 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 0.1 OUTLIER -56.12 -47.47 78.05 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.583 -179.761 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -71.14 -35.88 71.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.51 178.311 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.582 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 6.5 t60 -58.98 -31.11 68.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.436 -178.519 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.423 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -62.78 -10.53 13.26 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.5 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -74.32 -33.28 63.13 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.648 0.261 . . . . 0.0 111.05 179.599 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.0 pp -118.43 0.37 8.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.521 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.8 t . . . . . 0 C--N 1.331 -0.234 0 CA-C-O 120.877 0.37 . . . . 0.0 110.987 -179.821 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 36.3 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.665 0.269 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.649 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 33.7 t -70.59 129.78 40.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.927 0.394 . . . . 0.0 110.882 -179.872 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.465 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.3 m0 -54.73 -19.16 5.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.917 -179.593 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -112.84 -61.53 1.72 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.881 0.372 . . . . 0.0 111.069 -179.727 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.649 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 67.1 m -52.43 -43.02 64.62 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -178.024 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 83.12 -2.03 87.67 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.229 -0.986 . . . . 0.0 112.515 -179.504 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -99.77 -67.88 0.83 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.882 0.373 . . . . 0.0 111.143 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -155.02 145.33 21.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.237 -179.86 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -102.13 -152.15 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 25.0 p 172.91 -57.21 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.888 0.375 . . . . 0.0 110.701 179.702 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -86.96 154.97 20.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.948 -179.808 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 4.8 m -131.88 140.21 49.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.963 -179.695 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.887 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 36.2 t -48.75 120.76 4.02 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.15 179.937 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.06 -15.45 58.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.005 179.751 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.28 -31.47 22.4 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.768 -0.73 . . . . 0.0 113.231 -179.486 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.9 p -126.8 -7.68 6.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 117.301 0.55 . . . . 0.0 111.993 -179.741 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 56.17 26.41 10.25 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.694 0.283 . . . . 0.0 111.351 179.738 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 2.6 m -119.1 -63.35 1.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.839 0.352 . . . . 0.0 111.411 -179.657 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.887 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -49.1 139.88 10.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.401 -179.857 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.95 142.36 51.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.956 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -148.79 170.46 18.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.831 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 17.3 p -96.09 -15.61 22.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.438 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -165.57 -179.09 39.07 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.854 -179.8 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 55.0 p -68.23 -39.95 82.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.584 0.23 . . . . 0.0 111.427 -179.755 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -60.99 -46.62 90.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.75 0.31 . . . . 0.0 110.861 -179.686 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -61.59 -38.87 89.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.963 179.923 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -69.91 -34.23 73.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.424 179.502 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 3.0 m80 -71.79 -39.83 69.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.939 179.845 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -64.46 -42.63 95.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.607 179.878 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -86.57 -17.75 33.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.963 179.808 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.408 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.93 -45.17 67.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.739 -179.41 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.434 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 12.5 tp10 -56.95 -47.78 79.86 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.821 -179.583 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 694' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 695' ' ' HIS . 8.9 ptmt -71.3 -35.98 71.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.079 0.466 . . . . 0.0 110.457 178.154 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.665 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 20.9 t60 -59.09 -31.24 68.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.375 -178.631 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.434 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -61.79 -10.8 9.86 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.425 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -74.0 -40.86 62.65 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.709 0.29 . . . . 0.0 110.909 179.629 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.7 pp -106.82 -0.61 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.945 -179.569 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.332 -0.187 0 CA-C-O 120.83 0.348 . . . . 0.0 110.991 -179.825 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 662' ' ' SER . . . . . 0.401 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 2.3 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.601 0.238 . . . . 0.0 110.711 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.64 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 19.0 t -68.37 129.19 39.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.942 0.401 . . . . 0.0 110.822 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.459 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.0 m0 -56.04 -18.48 9.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.735 -179.64 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -111.69 -62.26 1.58 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.873 0.368 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.64 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 68.1 m -52.97 -42.85 65.91 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -178.129 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.19 -0.78 88.44 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.227 -0.987 . . . . 0.0 112.534 -179.489 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.93 -71.72 0.67 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.867 0.365 . . . . 0.0 111.102 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 669' ' ' LYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -155.81 148.01 23.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.271 -179.816 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 670' ' ' ALA . . . . . 0.624 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -133.52 148.99 51.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.901 179.739 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.5 m -126.86 -30.46 2.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.594 -179.784 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -86.75 149.82 24.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.007 0.432 . . . . 0.0 111.225 -179.515 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 45.6 m -131.89 140.25 49.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.991 -179.8 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.882 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 37.9 t -48.68 121.6 4.75 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.176 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.22 -15.32 58.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.018 179.778 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.99 -31.39 20.58 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.727 -0.749 . . . . 0.0 113.25 -179.429 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 30.0 p -127.08 -7.71 5.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 117.335 0.567 . . . . 0.0 112.053 -179.689 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 56.48 26.04 10.42 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.698 0.285 . . . . 0.0 111.279 179.737 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 19.2 m -118.74 -62.78 1.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.278 -179.658 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.882 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -51.58 147.38 6.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.188 -179.9 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -134.67 142.88 46.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.987 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -149.55 166.29 29.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.708 179.908 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 24.9 p -95.62 -15.43 22.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.442 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -161.21 178.38 37.17 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.407 -0.902 . . . . 0.0 112.899 -179.736 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 10.7 m -68.18 -40.48 82.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.664 0.269 . . . . 0.0 111.195 -179.863 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -60.9 -46.43 90.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.696 -179.923 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.99 -39.68 86.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.844 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -69.32 -34.51 74.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.315 179.42 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -71.74 -39.31 70.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.855 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -42.27 95.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.609 179.879 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -87.58 -17.96 30.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.986 179.863 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.411 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.77 -45.29 67.06 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.655 -179.403 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.422 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 0.5 OUTLIER -56.17 -47.32 78.49 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.59 -179.823 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt -71.29 -36.1 71.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.137 0.494 . . . . 0.0 110.536 178.195 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.603 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 7.5 t60 -59.14 -31.19 68.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.481 -178.562 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.422 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -62.69 -10.72 13.55 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -179.625 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 -74.32 -35.76 63.66 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.73 0.3 . . . . 0.0 111.076 179.593 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.1 pp -115.37 -0.46 9.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.336 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.4 t . . . . . 0 C--N 1.33 -0.244 0 CA-C-O 120.902 0.382 . . . . 0.0 110.847 -179.948 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.736 0.303 . . . . 0.0 110.772 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.649 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 22.5 t -70.84 129.45 39.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.832 0.349 . . . . 0.0 110.854 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.46 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.8 m0 -55.99 -18.53 9.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.769 -179.602 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -111.62 -62.62 1.53 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.923 0.392 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.649 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 67.5 m -52.02 -43.12 63.54 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -178.231 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.88 -0.64 88.16 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.243 -0.979 . . . . 0.0 112.614 -179.549 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -98.17 -68.8 0.79 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.817 0.342 . . . . 0.0 111.165 -179.862 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.54 148.17 19.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.287 -179.812 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 670' ' ' ALA . . . . . 0.612 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -134.15 149.83 51.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.937 179.652 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.4 p -126.82 -30.45 2.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.513 -179.7 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -86.79 149.67 24.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.038 0.447 . . . . 0.0 111.291 -179.452 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 53.9 m -131.89 140.21 49.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.973 -179.752 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.872 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 39.6 t -48.61 121.32 4.43 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.154 179.894 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.49 -15.17 58.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.063 179.699 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.48 -31.97 20.52 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.771 -0.728 . . . . 0.0 113.233 -179.511 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.8 p -126.26 -7.44 6.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 117.383 0.591 . . . . 0.0 111.92 -179.66 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 56.4 25.9 10.1 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.785 0.326 . . . . 0.0 111.446 179.818 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 7.5 m -118.85 -63.22 1.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.842 0.353 . . . . 0.0 111.298 -179.631 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.872 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -50.89 148.18 4.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.306 -179.838 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -134.69 142.44 46.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.93 -179.877 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -149.53 165.94 30.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.682 179.877 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 25.7 p -95.42 -16.01 22.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.407 -179.925 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -161.75 178.65 37.54 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.329 -0.938 . . . . 0.0 112.898 -179.721 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 96.5 p -68.14 -40.37 82.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.701 0.286 . . . . 0.0 111.228 -179.806 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -60.86 -46.56 90.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.874 0.369 . . . . 0.0 110.738 -179.84 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.8 -40.7 93.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.767 179.733 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -69.34 -34.53 74.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.375 179.489 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -71.75 -38.56 70.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.909 179.811 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 3.0 mmtm -64.67 -43.39 93.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.641 179.816 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -86.91 -17.68 32.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.065 179.834 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.408 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.7 -45.03 66.7 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.582 -179.408 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.428 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 12.8 tt0 -56.12 -47.42 78.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.874 0.369 . . . . 0.0 110.512 -179.846 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.13 -36.11 71.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.475 178.197 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.541 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 7.4 t60 -59.14 -31.08 68.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.473 -178.59 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.428 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -62.41 -10.77 12.5 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -179.456 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -74.15 -40.8 62.35 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.73 0.3 . . . . 0.0 111.052 179.64 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.4 pt -110.29 -0.47 9.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.464 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 14.1 t . . . . . 0 C--N 1.331 -0.208 0 CA-C-O 120.888 0.375 . . . . 0.0 111.047 -179.716 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 20.4 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.644 0.259 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.651 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 21.5 t -68.2 129.14 39.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.958 0.408 . . . . 0.0 110.757 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.458 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.3 m0 -55.47 -18.27 6.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.787 -179.6 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -112.45 -62.16 1.62 Allowed 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 120.787 0.327 . . . . 0.0 110.811 -179.914 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.651 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 66.3 m -52.66 -43.51 65.57 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -177.98 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.7 -0.78 89.16 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.275 -0.964 . . . . 0.0 112.503 -179.579 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.8 -69.04 0.77 Allowed 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.826 0.346 . . . . 0.0 111.185 -179.853 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -157.92 147.68 20.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.267 -179.786 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 670' ' ' ALA . . . . . 0.65 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -131.81 147.91 52.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.885 179.736 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 67.5 m -125.72 -32.08 2.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.531 -179.801 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.86 149.59 24.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.05 0.453 . . . . 0.0 111.188 -179.469 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 15.2 m -131.93 140.32 48.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.941 -179.763 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.894 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 32.9 t -48.7 121.32 4.48 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.209 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.22 -15.51 58.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.061 179.673 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.7 -31.4 21.38 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.817 -0.706 . . . . 0.0 113.239 -179.423 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 29.4 p -126.62 -7.7 6.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 117.236 0.518 . . . . 0.0 112.053 -179.733 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 56.14 25.94 9.65 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.668 0.27 . . . . 0.0 111.339 179.768 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 43.1 m -118.79 -62.96 1.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.872 0.367 . . . . 0.0 111.391 -179.718 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.894 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -50.32 145.49 6.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.349 -179.868 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 8.8 mmt180 -131.37 141.05 49.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 682' ' ' TYR . . . . . 0.426 ' CE1' ' HB2' ' A' ' 691' ' ' ASP . 90.7 m-85 -149.46 165.38 32.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.74 179.848 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 25.0 p -94.87 -15.94 23.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.475 -179.893 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -162.74 179.47 37.99 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.384 -0.912 . . . . 0.0 112.915 -179.636 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.22 -39.73 82.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.662 0.268 . . . . 0.0 111.245 -179.865 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -60.82 -46.63 89.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 110.698 -179.829 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -61.45 -41.04 96.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 179.802 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 688' ' ' GLN . . . . . 0.421 ' HG3' ' CD2' ' A' ' 682' ' ' TYR . 40.1 tt0 -68.56 -35.28 77.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.352 179.486 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -71.74 -39.28 70.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.909 179.851 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -43.14 95.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.0 0.428 . . . . 0.0 110.554 179.846 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 691' ' ' ASP . . . . . 0.426 ' HB2' ' CE1' ' A' ' 682' ' ' TYR . 4.7 m-20 -86.84 -17.7 32.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.975 179.849 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.41 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.69 -45.22 66.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.626 -179.361 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.414 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 22.3 tt0 -56.17 -47.47 78.2 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.548 -179.81 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -71.21 -36.07 71.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.132 0.492 . . . . 0.0 110.55 178.226 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 9.0 t60 -59.34 -31.15 68.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.348 -178.513 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.414 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -63.0 -11.55 19.7 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 -179.52 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -74.32 -28.3 61.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.724 0.297 . . . . 0.0 111.172 179.472 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.1 pp -122.06 -0.45 7.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.401 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.33 -0.242 0 CA-C-O 120.865 0.364 . . . . 0.0 110.969 -179.897 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.86 0.362 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.0 165.9 24.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.11 98.75 11.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 61.83 62.6 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 8.3 t -129.2 158.83 37.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.81 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.657 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 19.2 t -70.58 129.21 38.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 110.841 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.462 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 13.0 m0 -55.67 -19.36 10.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.726 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -111.39 -62.83 1.49 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.905 0.383 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.618 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 69.6 m -52.58 -42.78 64.81 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -178.043 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.74 -0.89 87.65 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.2 -1.0 . . . . 0.0 112.534 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.18 -67.63 0.84 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.83 0.348 . . . . 0.0 111.151 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -159.99 147.89 16.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.233 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 670' ' ' ALA . . . . . 0.657 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -132.89 148.55 52.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.003 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 31.8 m -126.28 -30.65 2.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.603 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -86.65 150.19 24.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.027 0.441 . . . . 0.0 111.168 -179.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 87.8 m -129.82 140.16 51.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.052 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.853 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 40.2 t -49.92 122.03 6.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.087 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.07 -15.72 58.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.0 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.68 -32.47 18.59 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.771 -0.728 . . . . 0.0 113.252 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 30.9 p -126.04 -7.41 6.59 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 117.401 0.601 . . . . 0.0 112.057 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 56.03 25.62 9.06 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.727 0.299 . . . . 0.0 111.343 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 55.7 m -118.5 -63.11 1.45 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.826 0.346 . . . . 0.0 111.257 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.853 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -50.33 143.14 9.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.318 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.39 142.64 50.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.8 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 682' ' ' TYR . . . . . 0.445 ' CD2' ' HG2' ' A' ' 688' ' ' GLN . 92.3 m-85 -149.45 170.04 19.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.937 0.399 . . . . 0.0 110.791 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 25.3 p -99.86 -15.67 18.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.601 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -159.08 175.59 36.01 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.304 -0.95 . . . . 0.0 113.093 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.1 -39.74 82.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.73 0.3 . . . . 0.0 111.154 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -60.9 -46.34 91.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.867 0.365 . . . . 0.0 110.589 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.9 m -57.73 -36.57 72.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.747 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 688' ' ' GLN . . . . . 0.445 ' HG2' ' CD2' ' A' ' 682' ' ' TYR . 34.5 mt-30 -68.01 -36.52 80.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.433 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 41.9 m170 -71.75 -40.11 69.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.016 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -63.34 -44.16 95.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.566 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.32 -16.75 36.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.088 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.44 ' CZ3' ' HB3' ' A' ' 696' ' ' HIS . 2.9 t-105 -52.71 -44.95 66.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.552 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.495 ' O ' ' CD2' ' A' ' 696' ' ' HIS . 2.4 tp10 -56.14 -47.25 78.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.066 0.46 . . . . 0.0 110.476 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.09 -35.93 72.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.383 178.163 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 3.7 t60 -59.55 -31.8 69.75 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.288 0.848 . . . . 0.0 113.288 -178.242 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 693' ' ' GLU . 0.5 OUTLIER -67.77 -9.48 44.44 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.74 -179.189 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 45.0 m-70 -74.55 -30.18 61.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.872 0.367 . . . . 0.0 110.58 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.1 pp -123.46 -0.7 6.33 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.03 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 7.8 t -103.25 146.59 28.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.892 0.377 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 96.71 25.87 11.31 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.452 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -131.21 30.27 4.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.764 0.316 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 29.3 p -118.71 -43.26 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 7.2 tp -103.18 -37.64 7.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 59.58 80.18 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.964 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -119.55 -41.63 2.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.065 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -60.05 -36.82 78.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.774 0.321 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 4.3 m 60.67 33.18 20.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.97 160.92 31.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -124.81 61.06 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.949 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 3.6 m -116.78 138.63 51.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.757 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.697 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 16.3 t -63.54 129.05 38.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.903 0.383 . . . . 0.0 110.752 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.449 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 13.2 m0 -56.64 -18.44 12.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.748 -179.651 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -111.08 -62.46 1.54 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.859 0.361 . . . . 0.0 110.759 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.629 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 68.8 m -52.96 -44.69 67.31 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -178.055 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 86.59 -1.53 87.19 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.306 -0.949 . . . . 0.0 112.686 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -98.05 -75.29 0.55 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.93 0.395 . . . . 0.0 111.093 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.98 148.12 28.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.367 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 670' ' ' ALA . . . . . 0.697 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -130.34 146.32 51.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.948 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -123.75 -33.74 3.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.438 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -86.87 151.71 23.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.97 0.414 . . . . 0.0 111.159 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 21.5 m -131.89 140.22 49.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.967 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.88 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 37.7 t -48.68 121.51 4.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.177 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 1.9 p -78.14 -15.38 58.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.064 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.4 -32.43 19.58 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.258 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 31.6 p -125.74 -7.21 6.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 117.319 0.559 . . . . 0.0 112.029 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 56.15 25.59 9.25 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.769 0.319 . . . . 0.0 111.38 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 3.2 m -118.62 -62.96 1.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.286 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.88 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -50.76 148.58 3.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.327 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -134.41 144.21 48.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -149.53 166.05 30.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.73 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 26.6 p -95.52 -15.38 22.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.391 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.23 177.23 36.77 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.827 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 1.4 m -68.12 -39.94 82.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.742 0.306 . . . . 0.0 111.177 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -60.96 -46.45 90.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.901 0.382 . . . . 0.0 110.716 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -58.28 -37.4 74.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -67.86 -35.41 78.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.325 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -71.88 -39.08 69.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.941 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -64.15 -44.72 91.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.514 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.08 -17.45 37.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.006 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.418 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.7 t-105 -52.83 -45.83 67.48 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.683 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.404 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 0.0 OUTLIER -56.04 -47.49 77.76 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.636 -179.713 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -71.21 -36.07 71.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.084 0.469 . . . . 0.0 110.546 178.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.527 ' CE1' HD11 ' A' ' 698' ' ' ILE . 4.1 t60 -59.01 -31.27 68.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.495 -178.484 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.404 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -63.49 -11.2 21.95 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -179.493 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 -74.5 -27.85 60.73 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.656 0.265 . . . . 0.0 111.104 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 698' ' ' ILE . . . . . 0.534 HD12 ' C ' ' A' ' 698' ' ' ILE . 2.8 pp -126.05 0.4 4.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -179.278 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.8 t -102.25 148.4 25.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.848 0.356 . . . . 0.0 110.951 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . -95.83 26.83 18.61 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.667 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -112.28 98.58 7.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.884 0.373 . . . . 0.0 110.799 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.11 161.59 41.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.947 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 703' ' ' LEU . . . . . 0.471 HD23 ' N ' ' A' ' 704' ' ' GLN . 1.3 tt -93.0 155.67 17.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 704' ' ' GLN . . . . . 0.471 ' N ' HD23 ' A' ' 703' ' ' LEU . 6.9 mt-30 -87.88 87.26 7.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -84.36 138.09 33.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.42 -47.01 2.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.842 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.966 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.837 0.351 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.1 m -62.6 173.48 1.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 3.8 m -150.63 176.65 10.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -95.0 48.71 1.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.3 m -99.26 152.98 19.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.845 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.649 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 20.0 t -71.84 129.18 37.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.891 0.377 . . . . 0.0 110.892 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.447 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.1 m0 -55.95 -19.1 10.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.735 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -110.93 -62.38 1.55 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.954 0.407 . . . . 0.0 110.913 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.649 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 67.2 m -52.24 -43.73 64.47 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -178.184 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.56 -0.36 89.31 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.281 -0.961 . . . . 0.0 112.651 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -98.99 -71.58 0.69 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.868 0.366 . . . . 0.0 111.084 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.19 146.85 23.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.367 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 670' ' ' ALA . . . . . 0.609 ' HB2' ' CA ' ' A' ' 663' ' ' CYS . . . -134.69 150.5 50.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.036 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 30.1 p -127.19 -29.24 2.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.572 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -86.83 150.04 24.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.098 0.475 . . . . 0.0 111.144 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 26.4 m -131.94 140.27 48.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.974 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.88 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 43.4 t -48.77 121.34 4.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.159 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.48 -15.4 58.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.048 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.41 -31.94 20.83 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.688 -0.768 . . . . 0.0 113.194 -179.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 27.3 p -126.39 -7.16 6.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 117.332 0.566 . . . . 0.0 112.022 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 56.27 25.87 9.81 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.726 0.298 . . . . 0.0 111.445 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 59.8 m -118.92 -62.59 1.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.777 0.322 . . . . 0.0 111.312 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.88 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -50.92 149.37 3.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.33 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 2.4 mmt85 -134.4 142.18 47.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.87 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -149.52 165.6 31.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.963 0.411 . . . . 0.0 110.695 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 27.4 p -96.61 -15.83 21.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.484 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.59 177.67 36.91 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.879 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 2.8 m -68.16 -40.24 82.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.686 0.279 . . . . 0.0 111.167 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -60.9 -46.44 90.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.847 0.356 . . . . 0.0 110.699 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.68 -39.47 84.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -69.15 -34.23 74.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.246 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 52.5 m170 -71.83 -38.82 70.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.879 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm -65.83 -40.88 92.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.639 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -88.26 -18.44 28.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.011 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.408 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.76 -45.18 66.95 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.564 -179.322 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.5 ' O ' ' CD2' ' A' ' 696' ' ' HIS . 1.3 tp10 -56.19 -47.43 78.36 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.512 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -70.96 -35.97 72.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.076 0.465 . . . . 0.0 110.175 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.529 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 4.3 t60 -59.35 -31.38 69.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.509 -178.604 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.5 ' CD2' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -65.7 -10.72 39.02 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -179.32 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -74.53 -30.21 61.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.818 0.342 . . . . 0.0 110.731 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.3 pt -122.12 -0.69 7.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.978 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 6.8 t -106.21 161.32 14.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.842 0.353 . . . . 0.0 111.095 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 124.29 -63.35 0.56 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.451 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -173.76 -41.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.806 0.336 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 16.8 p -119.6 152.9 36.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 703' ' ' LEU . . . . . 0.452 ' HA ' HD13 ' A' ' 703' ' ' LEU . 3.5 mm? -83.12 -179.2 7.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.52 110.77 20.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.86 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -107.0 -38.12 6.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.192 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.84 90.45 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.945 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 -179.936 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.816 0.341 . . . . 0.0 110.779 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.6 m -94.67 179.52 5.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 75.4 m -89.33 105.57 17.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -126.71 47.95 2.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.38 142.99 36.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.837 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.653 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 23.6 t -67.59 129.13 38.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.884 0.373 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.455 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 13.9 m0 -55.49 -19.7 10.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.789 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -110.56 -62.01 1.59 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.881 0.372 . . . . 0.0 110.927 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.653 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 66.7 m -52.65 -42.09 64.38 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -178.006 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.44 -0.73 88.83 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.235 -0.983 . . . . 0.0 112.619 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -103.02 -70.03 0.77 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.845 0.355 . . . . 0.0 111.198 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.4 143.16 24.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.296 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 670' ' ' ALA . . . . . 0.423 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -101.9 -151.32 0.42 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.843 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 9.6 t 172.45 -57.5 0.01 OUTLIER 'General case' 0 N--CA 1.461 0.11 0 CA-C-O 120.835 0.35 . . . . 0.0 110.844 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -86.89 155.95 20.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.927 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 26.8 m -131.5 140.22 49.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.085 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.904 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 18.5 t -48.88 121.18 4.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.193 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 10.5 t -77.86 -15.71 58.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.059 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.62 -30.89 22.99 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.715 -0.755 . . . . 0.0 113.224 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 31.7 p -126.65 -8.08 6.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 117.219 0.51 . . . . 0.0 112.02 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 9.6 m120 55.86 25.92 9.1 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.66 0.267 . . . . 0.0 111.389 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 10.8 m -119.25 -62.85 1.46 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.844 0.354 . . . . 0.0 111.415 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.904 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -48.76 138.63 10.79 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.488 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -124.66 143.09 50.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.001 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 682' ' ' TYR . . . . . 0.432 ' CE1' ' HB2' ' A' ' 691' ' ' ASP . 95.3 m-85 -149.46 170.06 19.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.779 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 17.0 p -98.25 -15.94 19.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.352 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -162.92 179.31 38.25 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.43 -0.891 . . . . 0.0 112.807 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 1.1 m -68.23 -41.05 81.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.626 0.25 . . . . 0.0 111.391 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -60.97 -46.52 90.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.849 0.357 . . . . 0.0 110.778 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.53 -37.67 79.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.835 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 688' ' ' GLN . . . . . 0.411 ' HG3' ' CE2' ' A' ' 682' ' ' TYR . 8.9 tt0 -69.93 -34.58 73.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.445 179.527 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.68 -40.05 69.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -63.73 -44.28 94.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.7 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 691' ' ' ASP . . . . . 0.432 ' HB2' ' CE1' ' A' ' 682' ' ' TYR . 1.2 m-20 -85.75 -16.99 37.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.085 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.408 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 3.0 t-105 -52.89 -44.75 67.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.729 -179.34 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.419 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 1.1 tt0 -57.7 -47.84 81.24 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.984 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -71.53 -35.99 70.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.053 0.454 . . . . 0.0 110.499 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.689 ' CE1' HD11 ' A' ' 698' ' ' ILE . 22.2 t60 -59.17 -31.17 68.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.343 -178.679 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.419 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -62.52 -10.94 13.53 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -179.486 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -74.28 -25.84 59.84 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.646 0.26 . . . . 0.0 111.116 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 698' ' ' ILE . . . . . 0.689 HD11 ' CE1' ' A' ' 695' ' ' HIS . 2.7 pp -122.68 -0.11 6.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.503 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 3.1 t -99.8 153.92 18.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.818 0.342 . . . . 0.0 110.916 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . -88.08 52.25 4.1 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.609 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -93.94 81.99 4.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.842 0.353 . . . . 0.0 110.798 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.58 160.24 5.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.961 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 9.8 tt -83.5 -49.05 9.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.63 122.43 27.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.923 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -109.24 -167.55 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 706' ' ' GLN . . . . . 0.421 ' O ' ' NE2' ' A' ' 706' ' ' GLN . 0.0 OUTLIER -97.57 36.78 1.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.898 0.38 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 37.7 t -137.81 92.98 2.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 21.9 m -161.42 106.22 1.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -107.12 47.61 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -102.82 147.22 27.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.81 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.635 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 18.9 t -69.72 129.11 38.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.447 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.4 m0 -55.82 -18.9 9.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.789 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -111.36 -62.51 1.54 Allowed 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.879 0.371 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.635 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 68.4 m -52.8 -42.92 65.53 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -178.092 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.58 -0.23 88.31 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.239 -0.981 . . . . 0.0 112.604 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.43 -70.73 0.71 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.892 0.377 . . . . 0.0 111.107 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -156.89 147.23 21.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.212 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 670' ' ' ALA . . . . . 0.601 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -132.84 148.88 52.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.036 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 66.2 m -126.24 -30.88 2.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.561 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -86.73 150.37 24.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.02 0.438 . . . . 0.0 111.249 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 21.3 m -132.0 140.35 48.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.885 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.851 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 45.3 t -48.6 121.43 4.54 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.196 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 16.4 m -78.33 -15.37 58.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.049 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.5 -31.76 21.03 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.833 -0.699 . . . . 0.0 113.262 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 27.9 p -126.69 -7.33 6.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 117.372 0.586 . . . . 0.0 112.029 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 4.1 m120 56.33 25.89 9.96 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.704 0.287 . . . . 0.0 111.368 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 3.0 m -118.67 -63.25 1.43 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.339 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.851 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -51.15 148.42 4.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.234 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -134.65 143.0 47.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.943 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -149.5 166.93 27.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.983 0.421 . . . . 0.0 110.686 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 27.7 p -96.78 -15.62 21.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.331 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.41 177.47 36.83 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.371 -0.918 . . . . 0.0 112.859 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.14 -40.47 82.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.726 0.298 . . . . 0.0 111.285 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 38.0 p90 -60.85 -46.45 90.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.725 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.86 -37.5 76.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.809 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -72.21 -31.81 66.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.476 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -71.91 -41.39 67.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -34.38 77.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.828 0.346 . . . . 0.0 110.77 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.48 -20.48 21.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.906 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.408 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.79 -44.61 66.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.611 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.495 ' O ' ' CD2' ' A' ' 696' ' ' HIS . 2.7 mm-40 -56.47 -47.46 79.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.009 0.433 . . . . 0.0 110.472 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt -70.89 -36.09 72.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.107 0.479 . . . . 0.0 110.248 178.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.523 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 5.0 t60 -59.42 -31.37 69.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.526 -178.539 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -65.54 -10.24 33.24 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.405 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -74.53 -30.12 61.65 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.797 0.332 . . . . 0.0 110.857 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.2 pp -122.13 -0.59 7.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.277 -0.42 . . . . 0.0 112.085 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.6 t -104.75 158.59 16.41 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.821 0.343 . . . . 0.0 111.069 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 128.03 -28.34 4.38 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.531 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -59.61 100.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.836 0.35 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 702' ' ' THR . . . . . 0.42 ' O ' HG23 ' A' ' 702' ' ' THR . 3.1 t -115.46 84.58 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 2.0 tp -147.45 91.93 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.58 163.43 18.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.808 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -118.13 99.03 6.61 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.095 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -157.94 -45.91 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.823 179.947 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.874 0.369 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.57 171.26 20.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 6.0 t -161.99 -44.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -97.48 47.24 1.02 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.935 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 19.0 m -93.82 146.78 23.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.779 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.65 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 23.4 t -68.82 129.17 39.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.843 0.354 . . . . 0.0 110.92 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.455 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.6 m0 -55.01 -19.62 7.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.835 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -111.32 -61.71 1.66 Allowed 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.835 0.35 . . . . 0.0 111.061 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.65 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 67.0 m -52.73 -42.67 65.1 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -178.074 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.12 -0.68 88.44 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.209 -0.996 . . . . 0.0 112.6 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 3.6 ttm-85 -102.29 -69.14 0.8 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.859 0.361 . . . . 0.0 111.077 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -152.13 143.17 23.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.235 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -101.98 -151.59 0.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.1 m 172.42 -57.26 0.01 OUTLIER 'General case' 0 C--N 1.334 -0.071 0 CA-C-O 120.834 0.349 . . . . 0.0 110.841 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -86.96 154.71 20.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.97 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 59.9 m -131.42 140.22 49.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.976 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.866 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 48.6 t -49.11 120.88 4.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 65.9 p -78.23 -15.21 59.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.13 -31.74 22.18 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.767 -0.73 . . . . 0.0 113.243 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.5 p -126.54 -7.51 6.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 117.321 0.561 . . . . 0.0 111.973 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 3.1 m120 55.9 26.3 9.6 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.686 0.279 . . . . 0.0 111.484 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 21.6 m -119.13 -63.1 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.289 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.866 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -49.26 139.99 10.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.327 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -128.59 140.87 51.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.018 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -147.09 171.18 15.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.695 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 17.5 p -97.92 -15.77 20.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.365 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -162.63 179.33 37.98 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.489 -0.862 . . . . 0.0 112.862 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 10.7 t -68.22 -41.37 81.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.693 0.282 . . . . 0.0 111.343 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -60.85 -46.53 90.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.761 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.7 -38.42 81.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.825 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -69.77 -34.44 73.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.385 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -71.77 -39.4 69.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -41.81 95.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.577 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -87.54 -17.9 30.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.009 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.406 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.86 -45.61 67.48 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.612 -179.292 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.502 ' O ' ' CD2' ' A' ' 696' ' ' HIS . 3.0 mt-10 -56.09 -47.43 78.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.972 0.415 . . . . 0.0 110.569 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -70.81 -35.85 72.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.195 0.522 . . . . 0.0 110.156 178.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.654 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 9.5 t60 -59.31 -31.31 69.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.534 -178.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.502 ' CD2' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -65.34 -10.4 32.59 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -179.374 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -74.36 -29.49 61.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.778 0.323 . . . . 0.0 110.694 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.1 pt -120.17 -0.35 7.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.948 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.6 t -102.89 160.27 14.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.907 0.384 . . . . 0.0 111.048 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . -123.6 63.89 0.54 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.502 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -98.77 30.61 3.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.358 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 702' ' ' THR . . . . . 0.537 HG23 HD23 ' A' ' 703' ' ' LEU . 3.2 t -87.49 -31.58 19.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 703' ' ' LEU . . . . . 0.537 HD23 HG23 ' A' ' 702' ' ' THR . 0.4 OUTLIER -103.35 90.71 3.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -136.88 31.56 2.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -101.66 31.14 3.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.153 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -137.8 -67.94 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.977 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.8 0.333 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.98 151.07 41.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 2.2 t -118.45 89.18 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.946 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 62.14 47.02 5.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 9.3 m -97.13 153.77 17.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.808 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.656 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 21.4 t -71.44 128.95 37.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.883 0.373 . . . . 0.0 110.778 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.452 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.0 m0 -55.64 -19.33 10.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.795 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -110.71 -62.19 1.57 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.852 0.358 . . . . 0.0 110.95 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.641 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 67.4 m -52.98 -42.89 65.98 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -178.018 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.13 -0.9 88.22 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.252 -0.975 . . . . 0.0 112.483 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 4.7 ttm-85 -98.77 -68.59 0.8 Allowed 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.781 0.324 . . . . 0.0 111.151 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.25 147.85 19.66 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.297 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 670' ' ' ALA . . . . . 0.656 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -134.35 149.92 50.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.89 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 4.6 p -126.76 -31.27 2.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.657 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -86.81 149.67 24.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.013 0.435 . . . . 0.0 111.268 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 7.0 m -131.93 140.38 49.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.016 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.888 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 27.1 t -48.42 121.5 4.51 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.142 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.18 -15.46 58.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.069 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.38 -31.26 22.69 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 120.722 -0.751 . . . . 0.0 113.185 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 31.2 p -126.16 -7.67 6.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 117.216 0.508 . . . . 0.0 111.927 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 55.68 25.32 8.05 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.744 0.307 . . . . 0.0 111.358 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 1.5 m -118.25 -63.4 1.42 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.205 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.888 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -49.78 146.88 4.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.12 141.96 48.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.006 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -149.45 166.56 28.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.679 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 25.9 p -96.45 -15.49 21.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.546 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.49 177.76 36.79 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.925 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 40.3 t -68.19 -40.5 82.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.705 0.288 . . . . 0.0 111.153 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -60.96 -46.49 90.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.667 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.63 -39.72 85.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.742 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -69.42 -34.28 74.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.327 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -71.75 -39.89 69.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.92 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -64.13 -42.68 96.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.935 0.398 . . . . 0.0 110.599 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.97 -17.97 31.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.029 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.422 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -53.03 -46.01 68.26 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.27 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.495 ' O ' ' CD2' ' A' ' 696' ' ' HIS . 0.1 OUTLIER -56.84 -48.07 78.9 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.89 -179.416 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.44 -36.01 71.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.188 0.518 . . . . 0.0 110.335 178.149 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.638 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 29.5 t60 -59.57 -31.36 69.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.592 -178.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -64.33 -9.34 17.13 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.298 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -74.35 -26.57 60.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.679 0.275 . . . . 0.0 110.939 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.2 pp -122.12 -0.29 6.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 2.8 t -96.78 143.7 27.45 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.858 0.361 . . . . 0.0 110.846 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . -88.12 57.13 4.3 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.727 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -81.01 159.92 24.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.771 0.32 . . . . 0.0 110.838 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 44.5 m -80.26 128.06 33.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.786 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -159.31 -51.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -139.31 32.98 2.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -101.51 -178.12 3.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.067 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 60.77 163.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.823 -179.939 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 6.7 t0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.869 0.366 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.4 m 60.13 -176.92 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 24.4 m -113.91 79.53 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -127.14 47.72 2.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 48.3 m -124.91 137.67 54.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.741 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.637 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 20.4 t -69.21 129.16 39.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.951 0.405 . . . . 0.0 110.907 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.447 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.2 m0 -55.48 -18.86 7.95 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.817 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -111.83 -62.05 1.62 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.848 0.356 . . . . 0.0 110.972 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.637 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 68.2 m -52.92 -42.6 65.55 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -178.032 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.72 -0.42 88.23 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.301 -0.952 . . . . 0.0 112.578 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.29 -69.98 0.76 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.891 0.377 . . . . 0.0 111.132 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -152.29 143.37 23.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.17 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -103.91 -149.53 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 4.6 p 169.35 -53.92 0.01 OUTLIER 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.836 0.35 . . . . 0.0 110.725 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -86.93 154.91 20.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.985 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 46.8 m -131.92 140.22 48.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.988 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.864 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 43.9 t -49.0 121.21 4.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.2 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.1 -15.49 58.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 179.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.41 -31.81 21.16 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.806 -0.711 . . . . 0.0 113.305 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 26.9 p -126.55 -7.53 6.29 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 117.269 0.535 . . . . 0.0 112.009 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 6.4 m120 56.17 26.15 9.94 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.717 0.294 . . . . 0.0 111.419 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 2.2 m -119.1 -63.08 1.44 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.882 0.372 . . . . 0.0 111.404 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.864 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -49.74 143.93 6.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.337 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -131.21 143.52 50.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 682' ' ' TYR . . . . . 0.405 ' CE2' ' HG3' ' A' ' 688' ' ' GLN . 27.6 m-85 -149.45 168.42 23.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.742 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 18.8 p -95.7 -15.72 22.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.459 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -163.24 180.0 38.06 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.487 -0.864 . . . . 0.0 112.849 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.3 -40.42 81.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.653 0.263 . . . . 0.0 111.278 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -60.94 -46.57 90.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.822 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.13 -39.15 85.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.835 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 688' ' ' GLN . . . . . 0.405 ' HG3' ' CE2' ' A' ' 682' ' ' TYR . 45.6 tt0 -68.32 -35.5 77.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.383 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -71.72 -39.32 70.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.903 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -65.62 -41.25 92.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.571 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -87.29 -18.3 30.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.935 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.407 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.83 -45.44 67.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.684 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.496 ' O ' ' CD2' ' A' ' 696' ' ' HIS . 42.3 mt-10 -56.14 -47.51 78.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.947 0.403 . . . . 0.0 110.538 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -70.84 -35.95 72.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.164 0.507 . . . . 0.0 110.132 178.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.613 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 5.6 t60 -59.28 -31.32 69.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.555 -178.668 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.496 ' CD2' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -65.2 -10.21 29.68 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -179.407 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -74.4 -30.2 61.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.858 0.361 . . . . 0.0 110.763 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.1 pt -121.43 -0.25 7.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.908 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 11.9 t -108.84 159.69 16.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.785 0.326 . . . . 0.0 111.12 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 127.44 -60.02 0.67 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -117.77 98.25 6.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.813 0.34 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.69 151.11 24.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 40.8 mt -87.97 100.44 12.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -126.35 177.35 6.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.822 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . 59.71 30.66 20.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 59.8 104.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.949 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.845 0.355 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 31.1 p -132.19 96.5 3.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 7.5 t -74.03 105.9 5.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.82 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -90.86 51.1 1.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.4 m -102.62 154.07 19.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.651 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 34.1 t -69.9 129.76 40.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.885 0.374 . . . . 0.0 110.843 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.463 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.5 m0 -54.72 -19.2 5.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.957 -179.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -112.62 -61.79 1.68 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.917 0.389 . . . . 0.0 111.051 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.651 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 67.5 m -52.32 -43.2 64.41 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -177.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 83.37 -2.12 87.65 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.194 -1.003 . . . . 0.0 112.542 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.28 -69.5 0.76 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.839 0.352 . . . . 0.0 111.138 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -153.52 144.69 22.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -102.33 -151.08 0.42 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.796 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 9.8 p 170.47 -55.57 0.01 OUTLIER 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.924 0.393 . . . . 0.0 110.789 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -86.91 152.97 21.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.005 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 3.9 m -130.51 140.23 50.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.155 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.914 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 16.0 t -48.76 120.88 4.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.149 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.11 -15.57 58.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.01 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -86.27 -30.49 22.24 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.766 -0.73 . . . . 0.0 113.233 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.2 p -127.16 -8.37 5.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 117.234 0.517 . . . . 0.0 112.037 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 16.8 m120 56.3 25.94 9.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.758 0.313 . . . . 0.0 111.451 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 59.4 m -119.0 -63.85 1.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.36 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.914 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -48.65 138.56 10.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.364 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.37 140.45 52.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 682' ' ' TYR . . . . . 0.422 ' CE1' ' HB2' ' A' ' 691' ' ' ASP . 81.4 m-85 -147.15 170.59 16.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.002 0.429 . . . . 0.0 110.772 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 16.6 p -96.64 -15.73 21.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.523 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -165.33 -179.03 38.91 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.453 -0.88 . . . . 0.0 112.9 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.1 -40.31 82.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.658 0.266 . . . . 0.0 111.447 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -61.0 -46.59 90.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.792 0.33 . . . . 0.0 110.77 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -61.7 -39.3 90.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.826 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -68.39 -35.47 77.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.325 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.8 -39.62 69.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -63.78 -43.89 95.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.552 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 691' ' ' ASP . . . . . 0.422 ' HB2' ' CE1' ' A' ' 682' ' ' TYR . 3.7 m-20 -85.91 -17.3 35.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.98 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.409 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.91 -45.41 67.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.706 -179.367 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.43 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 1.6 tm-20 -57.28 -47.82 80.47 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.651 -0.419 . . . . 0.0 111.014 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.55 -35.94 70.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.165 0.507 . . . . 0.0 110.495 178.276 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.67 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 20.0 t60 -59.11 -31.12 68.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.33 -178.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.43 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -62.28 -10.56 11.34 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -179.524 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -74.19 -29.99 62.0 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.733 0.302 . . . . 0.0 110.973 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.4 pt -119.96 -0.19 7.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 39.1 t -114.13 157.92 21.97 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.868 0.366 . . . . 0.0 110.967 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 103.36 17.45 17.64 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.605 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -102.2 34.81 2.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.774 0.321 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 24.7 m -141.31 -69.37 0.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 67.64 -69.89 0.13 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -153.46 134.12 13.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -105.79 42.91 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.118 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -157.02 -67.23 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.957 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 4.2 t70 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.797 0.332 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 44.7 m -94.26 122.86 37.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 78.4 p -88.49 79.41 7.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.053 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -136.79 47.24 2.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 2.3 m -107.36 165.02 11.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.826 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.595 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 20.5 t -71.71 129.31 38.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.866 0.365 . . . . 0.0 110.951 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.448 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.0 m0 -55.4 -19.94 10.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.794 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -111.25 -62.3 1.57 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.917 0.389 . . . . 0.0 110.955 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.595 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 84.6 m -53.47 -42.41 67.18 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -177.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.53 -1.83 86.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.189 -1.005 . . . . 0.0 112.7 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.36 -69.78 0.75 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.842 0.353 . . . . 0.0 111.064 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -153.08 143.93 22.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.094 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -101.96 -151.24 0.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 8.5 t 171.62 -56.69 0.01 OUTLIER 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.891 0.377 . . . . 0.0 110.816 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -86.97 155.03 20.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.932 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 38.2 m -131.22 140.34 49.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.089 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.906 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 40.6 t -49.08 121.53 4.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.209 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.47 -15.19 58.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.6 -31.24 22.1 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.753 -0.736 . . . . 0.0 113.19 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 30.1 p -126.82 -7.57 6.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 117.28 0.54 . . . . 0.0 111.978 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 55.92 25.94 9.22 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.587 0.232 . . . . 0.0 111.426 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 5.9 m -118.8 -62.83 1.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.278 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.906 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -48.56 140.73 7.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.377 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -129.0 142.01 51.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 682' ' ' TYR . . . . . 0.447 ' CE1' ' HB2' ' A' ' 691' ' ' ASP . 90.9 m-85 -149.41 171.82 15.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.96 0.41 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 17.7 p -99.05 -16.12 18.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.556 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.82 169.75 36.56 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.31 -0.948 . . . . 0.0 112.936 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 79.4 p -61.26 -39.82 91.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.682 0.277 . . . . 0.0 111.257 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -60.92 -46.51 90.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.875 0.369 . . . . 0.0 110.596 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -57.89 -36.61 72.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.766 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 688' ' ' GLN . . . . . 0.431 ' HG2' ' CD2' ' A' ' 682' ' ' TYR . 4.3 mt-30 -67.23 -36.87 82.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.496 179.485 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -71.72 -39.93 69.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.228 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -46.19 90.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.926 0.393 . . . . 0.0 110.698 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 691' ' ' ASP . . . . . 0.447 ' HB2' ' CE1' ' A' ' 682' ' ' TYR . 12.1 m-20 -85.92 -16.1 39.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.251 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.409 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.74 -45.51 67.05 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.629 -179.262 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.487 ' O ' ' CD2' ' A' ' 696' ' ' HIS . 4.4 mp0 -56.17 -47.42 78.29 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.661 -0.415 . . . . 0.0 110.508 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 11.4 mtpt -71.03 -35.96 72.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.058 0.456 . . . . 0.0 110.27 178.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.608 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 8.2 t60 -59.24 -31.39 69.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.557 -178.617 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.487 ' CD2' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -65.04 -10.15 27.71 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.32 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 -74.46 -28.68 61.14 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.709 0.29 . . . . 0.0 110.882 179.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.2 pp -122.14 -0.34 6.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.6 t -101.21 145.96 28.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.846 0.355 . . . . 0.0 110.952 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 107.27 -28.37 12.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.469 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -114.36 112.45 23.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.862 0.363 . . . . 0.0 110.792 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 2.6 t -135.41 101.72 4.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 3.6 pp -66.23 -179.95 0.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -127.92 88.27 2.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -165.58 68.03 0.13 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.141 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -156.94 81.75 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.852 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.759 0.314 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.2 t -79.56 -34.84 40.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 73.1 p -110.95 152.87 26.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 60.77 48.11 7.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 6.7 m -121.45 144.25 48.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.803 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.661 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 24.9 t -70.49 129.14 38.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.876 0.369 . . . . 0.0 110.925 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.458 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.1 m0 -55.13 -19.37 7.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.867 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -111.52 -61.64 1.67 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.865 0.364 . . . . 0.0 111.056 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.661 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 64.4 m -52.24 -44.97 65.14 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -177.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 86.48 -2.44 87.4 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 120.196 -1.002 . . . . 0.0 112.631 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -100.73 -75.47 0.58 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.863 0.363 . . . . 0.0 111.028 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 7.6 tptt -146.09 144.77 30.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.405 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -102.07 -151.79 0.43 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.884 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 18.9 p 172.69 -56.7 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 120.937 0.398 . . . . 0.0 110.756 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -87.0 155.02 20.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.02 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 63.4 m -131.94 140.24 48.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.873 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.899 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 20.1 t -49.32 120.96 4.45 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.166 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.05 -15.54 58.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.983 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -86.03 -30.53 22.76 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.257 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 29.7 p -127.32 -8.36 5.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 117.3 0.55 . . . . 0.0 111.996 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 56.25 26.34 10.32 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.658 0.266 . . . . 0.0 111.417 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 1.2 m -119.6 -62.76 1.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.386 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.899 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -49.63 139.04 13.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.404 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -126.11 143.08 51.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 682' ' ' TYR . . . . . 0.43 ' CE1' ' HB2' ' A' ' 691' ' ' ASP . 92.8 m-85 -149.47 169.83 19.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.964 0.411 . . . . 0.0 110.715 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 17.1 p -96.98 -16.26 20.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.339 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -164.26 -179.56 38.52 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.846 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 26.4 m -68.23 -40.34 82.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.643 0.259 . . . . 0.0 111.474 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -60.93 -46.68 89.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.881 0.372 . . . . 0.0 110.835 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.97 -39.18 88.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -69.82 -34.34 73.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.41 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.72 -40.2 69.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.873 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -64.37 -42.25 96.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.563 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 691' ' ' ASP . . . . . 0.43 ' HB2' ' CE1' ' A' ' 682' ' ' TYR . 0.7 OUTLIER -86.81 -17.66 32.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.932 179.771 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.408 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.89 -45.0 67.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.606 -179.355 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.427 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 1.5 mt-10 -57.45 -47.76 80.95 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.839 -179.509 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.36 -35.9 71.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.201 0.524 . . . . 0.0 110.495 178.331 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.622 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 15.1 t60 -59.06 -31.13 68.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.24 -178.551 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.427 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -62.62 -10.49 12.46 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -179.652 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 -74.12 -30.63 62.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.771 0.32 . . . . 0.0 110.98 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.2 pp -118.86 -0.13 8.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.896 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.3 t -102.23 163.41 12.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.875 0.369 . . . . 0.0 111.038 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . -119.96 39.56 2.44 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.84 96.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 110.844 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 63.0 p -136.69 161.17 36.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 703' ' ' LEU . . . . . 0.508 HD23 ' N ' ' A' ' 704' ' ' GLN . 4.8 tt -68.37 157.85 34.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.94 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 704' ' ' GLN . . . . . 0.508 ' N ' HD23 ' A' ' 703' ' ' LEU . 8.4 pt20 -136.79 163.18 31.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -150.61 97.8 2.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -133.4 105.07 6.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.819 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.824 0.345 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.18 -48.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 34.4 m -145.7 108.2 4.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -96.14 46.98 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 57.8 m -127.55 158.11 38.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.771 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.65 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 28.9 t -69.18 129.28 39.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.841 0.353 . . . . 0.0 110.877 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.464 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.7 m0 -54.98 -18.87 5.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.865 -179.586 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -112.46 -62.06 1.63 Allowed 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 120.871 0.367 . . . . 0.0 110.986 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.65 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 66.5 m -52.01 -43.11 63.51 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -178.059 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 83.21 -1.44 88.69 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.247 -0.977 . . . . 0.0 112.57 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.31 -72.07 0.69 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.861 0.362 . . . . 0.0 111.143 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -149.35 143.98 26.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.186 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -101.99 -151.86 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.92 -57.47 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.882 0.373 . . . . 0.0 110.842 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -86.96 155.31 20.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.99 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 17.7 m -131.89 140.29 49.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.869 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.865 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 49.2 t -49.06 120.76 4.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.125 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.23 -15.26 58.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.069 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.24 -31.79 21.74 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.717 -0.754 . . . . 0.0 113.172 -179.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 26.8 p -126.38 -7.41 6.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 117.298 0.549 . . . . 0.0 112.01 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 56.06 26.18 9.77 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.778 0.323 . . . . 0.0 111.462 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 31.4 m -119.11 -63.37 1.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.369 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.865 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -49.07 140.78 8.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.462 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -128.14 142.53 51.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.001 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -148.98 169.64 20.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.96 0.41 . . . . 0.0 110.728 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 17.5 p -96.54 -15.59 21.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.397 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -164.5 -179.43 38.61 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.896 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.33 -40.47 81.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.569 0.223 . . . . 0.0 111.299 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -60.86 -46.77 89.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.768 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.98 -38.94 87.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -68.46 -35.23 77.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.417 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -71.88 -39.57 69.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.837 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -64.82 -42.2 95.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.643 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.88 -18.0 31.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.977 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.41 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.73 -45.44 66.98 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.654 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.498 ' O ' ' CD2' ' A' ' 696' ' ' HIS . 0.6 OUTLIER -56.17 -47.35 78.43 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.553 -179.882 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -70.87 -35.81 72.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.129 0.49 . . . . 0.0 110.165 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.676 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 8.1 t60 -59.12 -31.3 68.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.538 -0.756 . . . . 0.0 112.572 -178.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.498 ' CD2' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -65.05 -10.2 28.23 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -179.352 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 27.7 m80 -74.37 -29.05 61.39 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.783 0.325 . . . . 0.0 110.816 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.3 pt -121.48 0.06 7.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.973 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.8 t -104.74 161.98 13.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.828 0.347 . . . . 0.0 111.106 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 113.11 -51.95 0.67 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.553 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.39 99.04 10.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.774 0.321 . . . . 0.0 110.958 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -145.08 -68.97 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 2.7 mp -147.15 75.21 1.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -170.45 34.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -163.59 141.17 7.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.017 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -164.85 153.09 12.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 179.89 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.837 0.351 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 98.5 p -134.07 176.11 8.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.71 -44.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.96 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -138.88 63.31 1.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.06 146.82 46.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.632 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 20.4 t -68.97 129.24 39.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.929 0.395 . . . . 0.0 110.823 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.457 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.2 m0 -55.66 -19.11 9.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.793 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -111.3 -62.25 1.57 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 120.818 0.342 . . . . 0.0 110.841 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.632 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 68.9 m -53.14 -42.67 66.31 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -177.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.75 -0.49 88.18 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.268 -0.967 . . . . 0.0 112.589 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.14 -71.19 0.69 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.877 0.37 . . . . 0.0 111.122 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -156.43 147.56 22.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.254 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 670' ' ' ALA . . . . . 0.623 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -133.24 149.03 52.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.93 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.5 m -126.48 -30.62 2.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.643 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -86.84 150.48 24.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.009 0.433 . . . . 0.0 111.258 -179.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 4.1 m -131.92 140.25 48.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.001 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.869 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 41.4 t -48.85 121.54 4.78 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.154 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 6.1 p -78.21 -15.48 58.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.013 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.62 -31.78 20.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.732 . . . . 0.0 113.286 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.4 p -126.7 -7.6 6.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 117.3 0.55 . . . . 0.0 112.03 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 5.2 m120 56.43 25.95 10.21 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.656 0.265 . . . . 0.0 111.359 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 59.3 m -118.73 -62.91 1.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.841 0.353 . . . . 0.0 111.234 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.869 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -50.93 147.73 4.79 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.203 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.57 142.75 47.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -149.46 166.67 28.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.65 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 27.2 p -96.19 -15.57 21.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.414 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.56 177.83 36.82 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.45 -0.881 . . . . 0.0 112.918 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 2.5 m -68.11 -40.47 82.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.68 0.276 . . . . 0.0 111.202 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -60.94 -46.41 90.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.816 0.341 . . . . 0.0 110.73 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.29 -39.32 82.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.812 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -70.36 -33.54 71.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.449 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -39.32 69.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -66.24 -39.71 89.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.691 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -88.61 -18.8 27.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.974 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.405 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.69 -45.41 66.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.704 -179.418 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.494 ' O ' ' CD2' ' A' ' 696' ' ' HIS . 31.4 mt-10 -56.42 -47.49 78.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.966 0.412 . . . . 0.0 110.58 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.93 -36.01 72.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.241 0.544 . . . . 0.0 110.301 178.121 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.561 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 6.4 t60 -59.28 -31.41 69.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.399 -0.819 . . . . 0.0 112.532 -178.584 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.494 ' CD2' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -65.16 -9.93 27.09 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.239 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -74.54 -29.76 61.5 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.763 0.316 . . . . 0.0 110.803 179.156 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.3 pp -121.62 -0.45 7.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.6 t -103.06 155.41 18.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.82 0.343 . . . . 0.0 111.054 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . -71.34 -26.93 72.48 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.571 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -59.54 136.67 58.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 702' ' ' THR . . . . . 0.487 HG22 ' H ' ' A' ' 703' ' ' LEU . 0.2 OUTLIER -153.04 179.82 8.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 703' ' ' LEU . . . . . 0.487 ' H ' HG22 ' A' ' 702' ' ' THR . 0.2 OUTLIER -62.36 -55.97 22.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -143.69 -47.39 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -68.66 -177.81 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.991 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -153.72 146.09 23.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.829 -179.929 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 3.4 t0 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.784 0.326 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 2.3 p -134.77 116.24 14.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.43 88.86 1.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.973 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -130.99 61.33 1.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 22.1 t -122.81 154.77 37.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.779 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.623 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 19.7 t -72.82 129.05 37.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.45 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.4 m0 -55.45 -19.18 8.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.683 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -111.77 -62.15 1.6 Allowed 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 120.85 0.357 . . . . 0.0 110.984 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.623 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 68.1 m -52.69 -42.59 64.93 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -177.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.63 -1.51 87.78 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.205 -0.998 . . . . 0.0 112.526 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.06 -69.43 0.77 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.836 0.351 . . . . 0.0 111.046 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.32 144.42 22.97 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.194 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 670' ' ' ALA . . . . . 0.424 ' O ' ' HB3' ' A' ' 671' ' ' SER . . . -99.58 -154.77 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.941 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 671' ' ' SER . . . . . 0.424 ' HB3' ' O ' ' A' ' 670' ' ' ALA . 5.1 p 176.84 -58.95 0.01 OUTLIER 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.845 0.355 . . . . 0.0 110.648 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 672' ' ' GLU . . . . . 0.405 ' N ' ' OG ' ' A' ' 671' ' ' SER . 6.8 mm-40 -87.19 157.8 19.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.972 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 13.0 m -131.86 140.15 49.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.931 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.87 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 44.1 t -49.41 121.08 4.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.112 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 1.7 t -78.3 -15.35 58.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.052 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.38 -31.87 21.08 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 113.211 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 26.9 p -126.6 -7.57 6.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 117.365 0.583 . . . . 0.0 112.054 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 53.9 m-20 56.06 26.24 9.85 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.724 0.297 . . . . 0.0 111.499 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 57.4 m -119.64 -62.31 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.852 0.358 . . . . 0.0 111.439 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.87 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -49.48 139.32 12.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.409 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -125.53 143.45 51.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 682' ' ' TYR . . . . . 0.426 ' CE1' ' HB2' ' A' ' 691' ' ' ASP . 79.1 m-85 -149.33 168.74 22.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.66 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 17.3 p -96.84 -15.71 21.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.307 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -162.24 179.11 37.77 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.81 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.22 -41.11 81.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.68 0.276 . . . . 0.0 111.385 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -60.95 -46.5 90.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.815 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -58.55 -37.18 75.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -68.87 -35.07 76.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.367 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -71.8 -39.78 69.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -65.25 -41.81 93.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.598 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 691' ' ' ASP . . . . . 0.426 ' HB2' ' CE1' ' A' ' 682' ' ' TYR . 1.3 m-20 -86.73 -17.96 32.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.996 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.405 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.81 -45.45 67.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.542 -179.364 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.495 ' O ' ' CD2' ' A' ' 696' ' ' HIS . 1.7 mt-10 -56.13 -47.38 78.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.948 0.404 . . . . 0.0 110.527 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.82 -35.77 72.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.138 0.494 . . . . 0.0 110.162 178.227 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.625 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 4.8 t60 -59.23 -31.28 68.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.563 -178.728 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -65.27 -10.35 31.49 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.322 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 -74.55 -27.94 60.73 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.764 0.316 . . . . 0.0 110.731 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 698' ' ' ILE . . . . . 0.538 HD11 ' CE1' ' A' ' 695' ' ' HIS . 2.8 pp -124.46 0.01 5.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.996 -179.538 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 9.1 t -107.57 160.13 15.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.814 0.34 . . . . 0.0 111.063 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . -109.01 28.27 11.44 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.495 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -69.89 137.35 51.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 1.5 m -162.68 -43.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 1.4 mp 63.5 140.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -152.23 -174.08 4.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -68.15 -31.45 71.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.066 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 11.4 mp0 -95.63 167.52 11.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.946 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.969 -179.949 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.779 0.323 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -111.02 136.71 49.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 1.1 m -87.0 120.6 28.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 60.47 59.94 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 2.3 t -94.44 146.55 24.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.724 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.612 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 17.1 t -70.75 129.25 38.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.919 0.39 . . . . 0.0 110.97 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.449 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 13.6 m0 -56.2 -18.97 11.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.742 -179.697 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -111.49 -62.42 1.55 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.79 0.329 . . . . 0.0 110.919 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.612 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 71.1 m -52.85 -42.45 65.21 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -178.048 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.69 -1.23 88.5 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.272 -0.966 . . . . 0.0 112.696 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.37 -69.15 0.78 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.844 0.355 . . . . 0.0 111.19 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -153.3 144.34 22.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.196 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -101.25 -151.86 0.42 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.994 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.2 m 172.48 -56.82 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 120.884 0.373 . . . . 0.0 110.709 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -86.96 155.93 19.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.928 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 27.1 m -129.69 140.26 51.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.015 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.889 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 32.9 t -49.75 121.72 5.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.037 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.91 -15.75 58.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.062 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.4 -31.76 21.33 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 113.204 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 31.7 p -126.34 -7.82 6.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 117.3 0.55 . . . . 0.0 111.986 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 5.4 m120 55.95 25.98 9.33 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.629 0.252 . . . . 0.0 111.392 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 57.7 m -119.75 -62.18 1.52 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.789 0.328 . . . . 0.0 111.404 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.889 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -49.05 138.35 11.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.515 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.79 143.45 49.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 682' ' ' TYR . . . . . 0.456 ' CD2' ' CG ' ' A' ' 688' ' ' GLN . 84.3 m-85 -149.49 168.8 22.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.371 . . . . 0.0 110.727 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 17.6 p -97.34 -15.69 20.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.536 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -163.03 179.1 38.47 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.373 -0.917 . . . . 0.0 113.024 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 30.8 p -68.17 -39.94 82.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.636 0.255 . . . . 0.0 111.352 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -60.88 -46.61 89.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.837 0.351 . . . . 0.0 110.659 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.68 -36.69 74.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 688' ' ' GLN . . . . . 0.456 ' CG ' ' CD2' ' A' ' 682' ' ' TYR . 22.0 mt-30 -65.72 -38.18 88.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.472 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -71.78 -39.63 69.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.13 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -61.99 -47.14 86.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.617 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -84.71 -16.3 42.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.184 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.408 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 3.0 t-105 -52.89 -45.37 67.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.781 -179.368 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.417 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 0.5 OUTLIER -57.23 -47.83 80.35 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.914 -179.431 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.4 -35.97 71.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.136 0.493 . . . . 0.0 110.598 178.301 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.534 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 7.5 t60 -59.08 -31.08 68.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.597 -0.729 . . . . 0.0 112.323 -178.654 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.417 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.0 OUTLIER -63.02 -11.25 17.9 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -179.569 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -74.23 -28.44 61.25 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.657 0.265 . . . . 0.0 110.958 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.2 pp -123.04 0.34 6.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.0 t -103.28 162.97 12.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.756 0.313 . . . . 0.0 111.022 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . -121.67 50.99 0.81 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.473 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -65.31 115.56 5.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.832 0.349 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 6.8 p -136.23 173.82 11.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.31 106.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -91.34 89.6 7.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.963 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -161.81 132.03 4.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.048 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -73.67 164.49 26.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.842 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.819 0.342 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 43.2 p -175.8 -62.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 10.7 t -96.75 155.41 16.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -143.8 46.97 1.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 7.3 m -129.15 157.98 40.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.766 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.643 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 26.6 t -69.56 129.42 39.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.911 0.386 . . . . 0.0 110.827 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.473 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.7 m0 -55.24 -19.28 7.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.817 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -111.93 -61.92 1.64 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.813 0.339 . . . . 0.0 111.035 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.643 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 66.9 m -52.41 -42.8 64.37 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -178.077 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.58 -1.31 88.12 Favored Glycine 0 CA--C 1.519 0.344 0 C-N-CA 120.224 -0.988 . . . . 0.0 112.529 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.93 -68.0 0.83 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.839 0.352 . . . . 0.0 111.039 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.08 144.01 21.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.202 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 670' ' ' ALA . . . . . 0.403 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -101.56 -151.69 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.86 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 172.76 -56.99 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.871 0.367 . . . . 0.0 110.831 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -86.89 155.84 20.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.003 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 82.2 m -131.79 140.19 49.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.904 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.897 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 27.7 t -49.6 120.67 4.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.061 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 14.9 m -77.93 -15.41 59.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.067 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -86.11 -30.72 22.06 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.736 -0.745 . . . . 0.0 113.206 -179.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.0 p -127.27 -8.29 5.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 117.32 0.56 . . . . 0.0 112.076 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 56.48 26.33 10.76 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.63 0.252 . . . . 0.0 111.427 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 57.0 m -119.45 -62.61 1.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.402 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.897 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -49.76 138.55 14.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.467 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 4.1 ttt-85 -126.13 142.88 51.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.943 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 682' ' ' TYR . . . . . 0.425 ' CE1' ' HB2' ' A' ' 691' ' ' ASP . 77.1 m-85 -149.44 169.68 20.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.933 0.396 . . . . 0.0 110.719 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 16.9 p -97.09 -15.59 20.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.409 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -163.44 179.9 38.26 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.397 -0.906 . . . . 0.0 112.842 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 93.9 p -68.19 -41.32 81.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.717 0.294 . . . . 0.0 111.352 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -60.86 -46.58 90.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.749 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.93 -38.67 83.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 688' ' ' GLN . . . . . 0.404 ' HG3' ' CE2' ' A' ' 682' ' ' TYR . 12.1 tt0 -69.17 -34.66 75.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.305 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -71.88 -39.92 69.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -65.06 -41.06 95.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.544 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 691' ' ' ASP . . . . . 0.425 ' HB2' ' CE1' ' A' ' 682' ' ' TYR . 1.9 m-20 -87.24 -18.46 30.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.925 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.406 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 3.0 t-105 -52.97 -45.45 67.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.677 -179.406 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.423 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 1.3 mt-10 -56.73 -47.89 79.0 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.77 -179.496 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 694' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 695' ' ' HIS . 11.1 pttp -71.36 -35.84 71.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.093 0.473 . . . . 0.0 110.493 178.296 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.66 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 10.4 t60 -59.01 -31.15 68.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.366 -178.645 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.423 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -62.72 -10.69 13.59 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -179.546 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -74.22 -31.64 62.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.671 0.272 . . . . 0.0 110.909 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.5 pp -118.55 0.25 8.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.911 -179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 6.3 t -104.89 161.74 13.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.805 0.336 . . . . 0.0 111.056 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . -111.43 29.61 8.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -69.32 138.73 54.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.838 0.352 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 3.2 m -143.75 104.59 4.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 1.6 pp -129.74 176.73 7.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -69.05 169.85 11.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.811 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -170.7 130.65 0.84 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.067 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -42.58 95.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.863 0.363 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 13.8 p -164.76 -57.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.971 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.26 167.46 10.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -149.88 49.35 0.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 45.9 m -108.6 150.75 27.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.758 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.698 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 19.7 t -66.38 129.48 39.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.837 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.45 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 12.7 m0 -55.92 -18.67 9.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.686 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -111.89 -62.47 1.56 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.866 0.365 . . . . 0.0 110.84 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.624 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 71.4 m -53.05 -42.32 65.67 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.053 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.7 -0.6 87.97 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 120.272 -0.966 . . . . 0.0 112.596 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.68 -70.06 0.74 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.876 0.369 . . . . 0.0 111.116 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -156.59 146.55 21.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.12 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 670' ' ' ALA . . . . . 0.698 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -131.66 147.95 52.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.967 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.43 -31.66 2.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.495 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -86.85 150.59 24.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.092 0.472 . . . . 0.0 111.054 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 28.6 m -131.85 140.32 49.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.045 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.888 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 49.8 t -48.6 121.09 4.2 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.128 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 10.7 t -78.35 -15.37 58.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.109 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.09 -32.21 21.13 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.752 -0.737 . . . . 0.0 113.262 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 26.9 p -126.16 -7.0 6.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 117.315 0.557 . . . . 0.0 112.015 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 6.5 m120 56.09 26.03 9.65 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.717 0.294 . . . . 0.0 111.328 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 3.1 m -118.85 -62.87 1.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.332 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.888 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -50.78 148.9 3.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.33 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.11 142.96 47.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 682' ' ' TYR . . . . . 0.408 ' CE2' ' HG3' ' A' ' 688' ' ' GLN . 47.2 m-85 -149.52 165.73 31.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.933 0.397 . . . . 0.0 110.631 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 24.9 p -95.66 -15.43 22.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.564 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -161.31 178.14 37.36 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.367 -0.92 . . . . 0.0 112.961 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.13 -39.67 82.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.699 0.285 . . . . 0.0 111.246 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -60.94 -46.54 90.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.593 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.83 -38.28 78.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 688' ' ' GLN . . . . . 0.408 ' HG3' ' CE2' ' A' ' 682' ' ' TYR . 41.7 tt0 -67.99 -35.81 78.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.311 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -71.89 -39.43 69.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.824 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -40.84 90.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.566 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -86.87 -18.38 31.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.924 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.445 ' CZ3' ' HB3' ' A' ' 696' ' ' HIS . 2.9 t-105 -52.84 -45.12 67.19 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.605 -179.393 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.501 ' O ' ' CD2' ' A' ' 696' ' ' HIS . 0.1 OUTLIER -56.16 -47.37 78.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.046 0.45 . . . . 0.0 110.442 -179.845 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.04 -35.92 72.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.191 0.52 . . . . 0.0 110.343 178.205 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.606 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 3.3 t60 -59.63 -31.65 69.7 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 113.218 0.822 . . . . 0.0 113.218 -178.266 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.501 ' CD2' ' O ' ' A' ' 693' ' ' GLU . 0.5 OUTLIER -67.63 -9.15 40.52 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.814 -179.228 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -74.4 -30.44 61.95 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.816 0.341 . . . . 0.0 110.51 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.2 pt -123.77 -0.26 6.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.935 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 9.6 t -107.69 160.22 15.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.877 0.37 . . . . 0.0 110.964 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 60.95 27.86 67.7 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.612 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -69.03 -44.05 73.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.86 0.362 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 11.1 p -119.08 -41.34 2.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.802 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.9 150.5 26.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -170.03 129.72 0.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -98.38 137.86 36.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -141.56 88.01 2.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.861 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.459 -0.017 0 CA-C-O 120.918 0.39 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 3.6 m -93.71 139.16 31.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.822 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 25.0 p -65.65 177.49 1.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.964 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -170.44 69.73 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.3 m -111.98 136.51 51.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.7 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.652 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 25.6 t -71.19 129.1 38.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.9 0.381 . . . . 0.0 110.932 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.465 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.4 m0 -54.62 -19.34 5.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.847 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -112.24 -61.59 1.7 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.835 0.35 . . . . 0.0 111.061 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.652 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 64.4 m -52.27 -43.18 64.26 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -177.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.67 -1.24 88.43 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.158 -1.02 . . . . 0.0 112.538 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.35 -67.9 0.84 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.889 0.376 . . . . 0.0 111.202 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -154.12 143.78 21.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.252 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -100.34 -152.94 0.43 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.2 m 173.69 -58.59 0.01 OUTLIER 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.842 0.353 . . . . 0.0 110.766 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -86.97 154.79 20.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.028 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 48.8 m -131.75 140.22 49.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.985 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.854 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 33.4 t -49.04 120.6 4.04 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.126 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.96 -15.4 59.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.043 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.53 -30.93 23.12 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.8 -0.714 . . . . 0.0 113.189 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.7 p -126.94 -7.97 6.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 117.199 0.5 . . . . 0.0 112.055 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 16.8 m120 55.87 26.4 9.65 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.68 0.276 . . . . 0.0 111.413 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 2.0 m -119.09 -63.86 1.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.367 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.854 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -48.82 136.51 13.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.557 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -123.68 142.62 50.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 682' ' ' TYR . . . . . 0.424 ' CE1' ' HB2' ' A' ' 691' ' ' ASP . 98.0 m-85 -149.41 170.66 18.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.94 0.4 . . . . 0.0 110.791 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 16.9 p -97.37 -16.26 20.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.324 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -164.28 -179.39 38.43 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.861 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 12.1 m -68.23 -40.66 81.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.751 0.31 . . . . 0.0 111.474 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 686' ' ' PHE . . . . . 0.4 ' CE2' ' SG ' ' A' ' 687' ' ' CYS . 45.1 p90 -60.97 -46.68 89.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.868 0.366 . . . . 0.0 110.838 -179.629 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 687' ' ' CYS . . . . . 0.4 ' SG ' ' CE2' ' A' ' 686' ' ' PHE . 1.7 m -61.31 -39.28 89.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 688' ' ' GLN . . . . . 0.42 ' HG3' ' CD2' ' A' ' 682' ' ' TYR . 51.3 tt0 -70.43 -34.37 72.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.436 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 52.2 m170 -71.88 -39.58 69.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.014 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.26 -44.39 91.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.621 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 691' ' ' ASP . . . . . 0.424 ' HB2' ' CE1' ' A' ' 682' ' ' TYR . 8.4 m-20 -85.31 -17.2 37.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.038 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.406 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.78 -45.45 67.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.676 -179.308 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.493 ' O ' ' CD2' ' A' ' 696' ' ' HIS . 2.0 tt0 -56.27 -47.35 78.76 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.596 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.93 -35.89 72.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.137 0.494 . . . . 0.0 110.154 178.118 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.666 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 19.3 t60 -59.19 -31.23 68.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.484 -0.78 . . . . 0.0 112.6 -178.668 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.493 ' CD2' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -64.28 -9.76 19.56 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -179.343 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -74.36 -28.45 61.13 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.725 0.297 . . . . 0.0 110.887 179.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.1 pt -119.71 -0.45 8.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.989 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 3.8 t -101.42 160.77 14.14 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.931 0.395 . . . . 0.0 111.034 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 106.29 -47.11 1.08 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.5 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -109.9 119.56 39.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.778 0.323 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 2.9 p -69.2 -35.18 75.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.1 -178.83 3.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.811 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -101.58 119.61 39.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -101.2 73.81 1.53 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.064 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.99 -31.56 27.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.817 0.341 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 35.8 t -82.6 -72.56 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.69 -180.0 4.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -128.76 67.52 1.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 3.6 m -94.78 147.86 22.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.743 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.677 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 17.8 t -65.1 129.16 38.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.816 0.341 . . . . 0.0 110.819 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.451 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 12.8 m0 -56.12 -18.76 10.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.703 -179.597 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -111.44 -62.61 1.53 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.859 0.362 . . . . 0.0 110.776 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.618 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 75.9 m -53.47 -42.07 66.85 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -178.035 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.91 -0.57 88.28 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.165 -1.017 . . . . 0.0 112.563 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.81 -70.42 0.72 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.879 0.371 . . . . 0.0 111.291 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.52 147.33 21.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.156 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 670' ' ' ALA . . . . . 0.677 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -131.05 147.14 52.59 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.011 179.757 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.02 -32.16 3.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.409 -179.696 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -86.77 151.71 23.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.937 0.399 . . . . 0.0 111.143 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 83.4 m -131.87 140.25 49.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.976 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.873 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 44.3 t -49.03 121.76 5.13 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.152 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 78.9 p -78.08 -15.61 58.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.039 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.66 -31.78 20.5 Favored Glycine 0 C--N 1.333 0.365 0 C-N-CA 120.789 -0.72 . . . . 0.0 113.284 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 29.2 p -126.73 -7.51 6.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 117.266 0.533 . . . . 0.0 112.09 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 56.19 26.07 9.89 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.78 0.324 . . . . 0.0 111.426 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 58.7 m -119.08 -62.23 1.54 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.321 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.873 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -51.18 148.23 4.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.294 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 2.6 mmt85 -133.63 143.7 48.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.93 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -149.46 165.42 32.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.927 0.394 . . . . 0.0 110.711 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 25.7 p -95.62 -15.32 22.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.337 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.55 177.47 36.96 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.447 -0.882 . . . . 0.0 112.881 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 30.0 m -68.06 -39.99 82.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.688 0.28 . . . . 0.0 111.215 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -60.97 -46.44 90.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.674 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.01 -37.51 74.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -67.93 -35.77 79.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.43 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -71.83 -39.38 69.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.882 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 28.9 mmtt -64.75 -42.86 94.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.536 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -86.2 -17.79 33.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.965 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.435 ' CZ3' ' HB3' ' A' ' 696' ' ' HIS . 2.9 t-105 -52.72 -45.4 66.92 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.608 -179.324 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.497 ' O ' ' CD2' ' A' ' 696' ' ' HIS . 1.1 tt0 -56.16 -47.46 78.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.037 0.446 . . . . 0.0 110.524 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.98 -36.06 72.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.094 0.473 . . . . 0.0 110.413 178.227 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.588 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 4.1 t60 -59.55 -31.68 69.64 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 -178.18 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.497 ' CD2' ' O ' ' A' ' 693' ' ' GLU . 0.4 OUTLIER -67.25 -9.2 38.2 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.884 -179.079 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -74.64 -28.62 60.94 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.745 0.307 . . . . 0.0 110.652 178.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.7 pp -124.2 -0.51 5.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.7 t -103.81 157.27 17.19 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.783 0.325 . . . . 0.0 110.943 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . -95.76 28.64 11.75 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.582 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -88.36 81.99 7.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.844 0.354 . . . . 0.0 110.816 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.46 169.47 12.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -92.11 125.94 36.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -87.01 170.94 11.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -138.58 168.02 20.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.078 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -107.29 -34.87 6.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.834 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.862 0.363 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 3.4 m -104.06 172.38 6.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 47.2 t -113.7 166.56 11.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -122.42 49.1 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.807 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 69.7 m -113.48 158.25 20.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.661 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 18.8 t -70.86 129.45 39.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.35 . . . . 0.0 110.822 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.449 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 12.8 m0 -56.3 -18.86 11.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.764 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -111.72 -62.93 1.48 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.868 0.366 . . . . 0.0 110.806 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.603 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 77.4 m -52.86 -42.49 65.27 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -178.048 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.75 -1.2 86.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.219 -0.991 . . . . 0.0 112.666 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -96.69 -68.87 0.78 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.93 0.395 . . . . 0.0 111.162 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.68 147.49 18.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.129 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 670' ' ' ALA . . . . . 0.661 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -132.48 148.53 52.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.0 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 44.9 p -125.61 -31.43 2.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.528 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -86.75 151.27 23.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.021 0.439 . . . . 0.0 111.095 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 31.9 m -131.91 140.28 49.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.03 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.907 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 46.4 t -48.7 121.44 4.61 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.089 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 11.3 m -78.52 -15.34 58.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.016 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.33 -32.16 20.52 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 120.786 -0.721 . . . . 0.0 113.254 -179.375 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.7 p -125.85 -6.98 6.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 117.322 0.561 . . . . 0.0 111.926 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 55.87 25.57 8.7 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.746 0.308 . . . . 0.0 111.385 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 59.8 m -118.19 -63.73 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.186 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.907 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -49.28 146.56 3.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.272 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.54 142.11 46.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 682' ' ' TYR . . . . . 0.461 ' CD1' ' HG2' ' A' ' 688' ' ' GLN . 86.9 m-85 -149.48 174.35 12.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.001 0.429 . . . . 0.0 110.827 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 25.8 p -102.45 -15.37 16.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.843 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -157.97 174.8 35.28 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.227 -0.987 . . . . 0.0 113.149 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 1.1 m -68.19 -39.71 82.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.702 0.287 . . . . 0.0 111.103 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -60.81 -45.47 94.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.469 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 2.3 m -57.74 -36.48 72.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.807 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 688' ' ' GLN . . . . . 0.461 ' HG2' ' CD1' ' A' ' 682' ' ' TYR . 74.8 mt-30 -66.76 -36.88 83.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.543 179.429 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -71.77 -39.44 69.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.123 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -63.04 -44.92 94.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.788 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 691' ' ' ASP . . . . . 0.406 ' HB2' ' CE2' ' A' ' 682' ' ' TYR . 0.9 OUTLIER -86.71 -16.66 35.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.199 179.872 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.404 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.61 -45.37 66.54 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.631 -179.28 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.49 ' O ' ' CD2' ' A' ' 696' ' ' HIS . 3.1 mt-10 -56.13 -47.4 78.24 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.577 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.93 -36.0 72.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.044 0.449 . . . . 0.0 110.273 178.133 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.528 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 3.7 t60 -59.3 -31.48 69.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.626 -0.716 . . . . 0.0 112.536 -178.552 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.49 ' CD2' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -65.95 -10.41 38.86 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.634 -179.503 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 59.5 m80 -74.39 -30.2 61.86 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.837 0.351 . . . . 0.0 110.81 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.5 pp -124.16 0.02 5.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.123 -179.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 7.1 t -106.2 159.36 16.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.881 0.372 . . . . 0.0 111.071 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 91.48 -49.37 2.91 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -93.39 47.81 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 110.857 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 66.1 p -90.63 112.31 23.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 703' ' ' LEU . . . . . 0.445 HD22 ' HA ' ' A' ' 703' ' ' LEU . 0.2 OUTLIER -111.89 125.93 54.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 -105.76 146.27 30.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -134.72 89.75 2.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -80.91 -36.29 31.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.941 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 11.3 t70 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.87 0.367 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.5 m -144.28 141.26 29.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 1.2 m -109.74 157.03 19.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -136.19 47.99 2.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 6.6 m -107.07 153.13 23.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.673 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 18.5 t -66.57 129.02 38.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.863 0.363 . . . . 0.0 110.764 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.451 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 13.1 m0 -55.65 -18.88 8.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.722 -179.652 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -111.62 -62.32 1.57 Allowed 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.874 0.369 . . . . 0.0 110.83 -179.876 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.633 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 69.3 m -53.13 -42.47 66.09 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -178.036 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.22 -0.82 88.43 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.264 -0.97 . . . . 0.0 112.567 -179.561 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.03 -71.42 0.68 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.864 0.364 . . . . 0.0 111.085 -179.932 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.69 147.75 23.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.221 -179.862 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 670' ' ' ALA . . . . . 0.673 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -131.14 147.12 52.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.922 179.851 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 43.8 m -124.68 -32.55 3.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.441 -179.759 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -86.86 151.13 23.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.997 0.427 . . . . 0.0 111.158 -179.535 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 26.8 m -131.82 140.22 49.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.976 -179.616 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.894 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 42.3 t -48.96 121.47 4.78 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.243 179.872 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.3 -15.53 58.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.024 179.7 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.43 -31.99 20.64 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.696 -0.764 . . . . 0.0 113.232 -179.424 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 27.3 p -126.38 -7.39 6.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 117.312 0.556 . . . . 0.0 112.013 -179.697 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 56.35 25.9 10.0 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.695 0.284 . . . . 0.0 111.403 179.757 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 2.0 m -118.8 -62.94 1.46 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.338 -179.676 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.894 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -50.22 146.83 4.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.318 -179.83 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 4.6 mmt85 -132.42 142.36 49.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 682' ' ' TYR . . . . . 0.438 ' CE2' ' HG2' ' A' ' 688' ' ' GLN . 91.0 m-85 -149.61 166.48 29.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.927 0.394 . . . . 0.0 110.742 179.872 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 28.6 p -96.37 -15.76 21.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.439 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.16 177.04 36.78 Favored Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.36 -0.924 . . . . 0.0 112.901 -179.639 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 5.7 p -68.13 -39.92 82.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.664 0.268 . . . . 0.0 111.245 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -60.85 -46.51 90.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.596 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.61 -37.94 76.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 688' ' ' GLN . . . . . 0.438 ' HG2' ' CE2' ' A' ' 682' ' ' TYR . 0.5 OUTLIER -70.33 -34.32 72.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.425 179.482 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -71.76 -39.63 69.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -65.03 -42.05 94.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.604 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.02 -17.86 31.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.994 179.808 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.408 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.76 -45.22 66.99 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.621 -179.433 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.413 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 7.3 tt0 -56.2 -47.34 78.56 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.486 -179.813 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -71.15 -35.95 71.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.499 178.261 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.513 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 3.9 t60 -59.08 -31.14 68.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.367 -178.527 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.413 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.0 OUTLIER -63.28 -10.76 17.39 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -179.617 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -74.32 -36.3 63.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.726 0.298 . . . . 0.0 111.123 179.551 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.6 pp -117.33 0.19 8.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -179.428 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.9 t -105.19 162.17 13.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.799 0.333 . . . . 0.0 111.021 -179.82 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . -124.57 41.4 1.72 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.531 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -60.41 -74.38 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.851 0.358 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.65 117.69 31.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.811 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 1.9 mp -92.44 -62.27 1.43 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.82 -47.91 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -72.68 175.14 6.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -125.68 155.33 41.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.975 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.83 0.347 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 2.9 p -162.14 165.64 26.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 6.7 p -125.81 123.43 38.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.6 47.43 2.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.58 139.9 52.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.844 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.706 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 19.8 t -63.0 129.45 40.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.903 0.383 . . . . 0.0 110.779 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.464 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 13.6 m0 -55.56 -19.33 9.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.766 -179.698 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -111.59 -62.28 1.58 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.886 0.374 . . . . 0.0 110.917 -179.813 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.616 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 72.4 m -53.48 -42.25 67.04 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -178.032 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 83.04 -1.35 88.83 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.227 -0.987 . . . . 0.0 112.477 -179.457 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.56 -73.98 0.57 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.884 0.373 . . . . 0.0 111.081 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -152.98 146.83 25.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.142 -179.669 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 670' ' ' ALA . . . . . 0.706 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -128.01 144.9 51.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 179.69 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 2.9 m -123.84 -34.2 3.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.347 -179.72 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -86.81 151.04 23.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.979 0.419 . . . . 0.0 111.13 -179.542 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 25.8 m -131.94 140.2 48.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.007 -179.748 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.865 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 40.2 t -48.59 121.71 4.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.241 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 65.1 m -78.39 -15.56 58.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.978 179.701 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.23 -32.68 19.5 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 113.298 -179.41 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 30.4 p -125.68 -7.0 6.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 117.326 0.563 . . . . 0.0 112.036 -179.773 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 11.4 m120 55.91 25.72 8.95 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.751 0.31 . . . . 0.0 111.402 179.775 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 17.2 m -118.5 -63.53 1.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.321 -179.731 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.865 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -50.56 148.03 4.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.255 -179.886 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 -134.62 144.22 47.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -149.48 166.38 29.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.711 179.866 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 24.3 p -94.83 -15.59 23.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.372 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.99 178.28 37.02 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.82 -179.711 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.12 -39.93 82.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.728 0.299 . . . . 0.0 111.297 -179.905 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -60.89 -46.45 90.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.842 -179.795 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.71 -38.16 77.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.914 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -68.83 -35.33 76.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.399 179.458 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 51.9 m170 -71.95 -39.31 69.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.861 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 3.4 mttm -64.77 -43.75 92.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.573 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -85.85 -17.26 36.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.022 179.756 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.412 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.72 -45.23 66.86 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.642 -179.314 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.503 ' O ' ' CD2' ' A' ' 696' ' ' HIS . 5.4 tp10 -56.24 -47.54 78.29 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.527 -179.767 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -70.89 -36.06 72.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.147 0.498 . . . . 0.0 110.181 178.176 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.589 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 4.9 t60 -59.33 -31.42 69.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.527 -0.76 . . . . 0.0 112.509 -178.636 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.503 ' CD2' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -65.72 -10.74 39.48 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.607 -179.442 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 56.3 m80 -74.59 -29.6 61.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.775 0.322 . . . . 0.0 110.777 179.088 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.1 pt -122.61 -0.67 6.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.98 -179.45 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.4 t -102.76 147.32 26.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.885 0.374 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 91.02 -48.83 3.0 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.413 -179.875 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -125.45 166.35 16.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.352 . . . . 0.0 110.816 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 73.4 p -140.37 -48.54 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 703' ' ' LEU . . . . . 0.447 ' O ' HD12 ' A' ' 703' ' ' LEU . 2.1 pp -167.59 115.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -90.02 157.17 17.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -155.88 175.7 13.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.066 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -123.03 155.17 37.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.815 -179.918 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.922 179.945 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 8.7 t0 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.797 0.332 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 3.4 p -156.11 -42.26 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 -179.904 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 2.2 p 73.22 161.22 0.24 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 20.7 mp0 -98.54 62.55 1.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.007 -179.851 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 2.7 m -142.04 141.66 32.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.713 179.87 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.651 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 18.6 t -67.52 128.99 38.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.923 0.392 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.457 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.8 m0 -56.03 -18.77 10.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.767 -179.637 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -111.2 -62.35 1.56 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.853 0.359 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.651 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 64.9 m -51.97 -45.84 64.58 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -178.084 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 86.8 -1.27 86.91 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.222 -0.99 . . . . 0.0 112.716 -179.703 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -99.07 -75.46 0.56 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.894 0.378 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -150.11 147.99 28.44 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.557 -179.674 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 670' ' ' ALA . . . . . 0.621 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -132.83 148.7 52.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.884 179.61 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.09 -31.01 2.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.635 -179.673 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -86.82 150.06 24.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.023 0.439 . . . . 0.0 111.228 -179.432 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 12.8 m -131.86 140.3 49.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.952 -179.821 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.874 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 42.2 t -49.22 121.4 4.86 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.196 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 42.7 t -78.28 -15.52 58.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.026 179.717 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.38 -31.93 20.92 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 113.289 -179.447 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 27.7 p -126.51 -7.54 6.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 117.297 0.548 . . . . 0.0 112.047 -179.746 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 10.8 m120 56.52 26.0 10.44 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.724 0.297 . . . . 0.0 111.416 179.772 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.91 -62.81 1.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.284 -179.606 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.874 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -51.16 147.8 5.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.201 -179.912 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -134.6 142.73 47.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.929 -179.867 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -149.55 166.0 30.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.667 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 26.1 p -95.33 -15.69 22.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.477 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -161.54 178.58 37.38 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.992 -179.797 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 52.1 p -68.16 -40.31 82.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.664 0.269 . . . . 0.0 111.224 -179.875 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -60.86 -46.47 90.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.731 -179.844 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.35 -39.84 88.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.844 179.785 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -69.89 -34.13 73.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.43 179.467 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -71.81 -38.98 70.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.888 179.835 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 6.1 mtpp -65.4 -41.49 93.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.652 179.807 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -87.59 -18.37 29.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.092 179.738 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.409 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.79 -45.29 67.11 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.634 -179.374 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.426 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 3.5 tt0 -56.18 -47.38 78.4 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.599 -179.786 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -71.25 -36.0 71.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.485 178.19 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.526 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 5.3 t60 -59.18 -31.21 68.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.336 -178.599 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.426 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -62.43 -10.99 13.25 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -179.459 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -74.11 -40.91 62.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.721 0.296 . . . . 0.0 110.973 179.62 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.7 pp -110.51 -0.36 9.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.474 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 9.1 t -108.12 160.35 15.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.812 0.339 . . . . 0.0 111.067 -179.715 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 103.68 -28.87 13.63 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.597 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -81.62 108.19 14.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.79 0.329 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.58 144.79 37.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.22 86.99 3.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.29 -41.67 2.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.852 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -150.75 -56.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -170.01 -42.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.824 0.345 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 5.5 p -81.67 -63.82 1.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 14.7 m -139.55 -171.05 3.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.95 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 61.82 60.87 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.3 m -131.94 135.64 46.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.714 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.695 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 15.7 t -64.65 129.01 38.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.894 0.378 . . . . 0.0 110.863 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.449 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 12.9 m0 -56.07 -18.91 10.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.701 -179.686 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -111.29 -62.58 1.53 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.869 0.366 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.603 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 87.1 m -53.89 -41.77 67.93 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -178.066 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.23 -0.37 87.7 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.195 -1.002 . . . . 0.0 112.612 -179.586 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.81 -67.41 0.85 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.902 0.382 . . . . 0.0 111.195 -179.871 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.54 146.76 16.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.265 -179.734 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 670' ' ' ALA . . . . . 0.695 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -129.08 145.25 51.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.946 179.78 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.41 -34.19 3.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.321 -179.798 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -86.81 152.12 22.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.942 0.401 . . . . 0.0 111.066 -179.674 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 48.4 m -131.92 140.26 48.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.033 -179.624 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.864 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 39.9 t -48.78 121.99 5.21 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.38 -15.63 58.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.022 179.633 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.2 -32.63 19.7 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.833 -0.699 . . . . 0.0 113.257 -179.394 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 31.0 p -125.65 -7.11 6.82 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 117.277 0.538 . . . . 0.0 111.951 -179.684 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 55.81 25.38 8.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.712 0.291 . . . . 0.0 111.43 179.701 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 7.2 m -118.24 -63.65 1.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.206 -179.661 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.864 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -49.65 146.5 4.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.285 -179.923 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 5.4 mtt85 -133.46 142.8 48.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 682' ' ' TYR . . . . . 0.478 ' CD2' ' HG2' ' A' ' 688' ' ' GLN . 87.2 m-85 -149.51 170.11 19.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.946 0.403 . . . . 0.0 110.81 179.929 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 28.6 p -98.48 -15.36 19.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.763 -179.665 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -159.63 176.48 36.37 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.288 -0.958 . . . . 0.0 113.159 -179.641 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 65.6 p -68.18 -39.2 82.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.691 0.282 . . . . 0.0 111.294 -179.871 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -60.7 -46.25 91.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.914 0.387 . . . . 0.0 110.559 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 687' ' ' CYS . . . . . 0.5 ' O ' ' HG2' ' A' ' 690' ' ' LYS . 2.0 m -57.76 -36.28 71.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.737 179.753 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 688' ' ' GLN . . . . . 0.478 ' HG2' ' CD2' ' A' ' 682' ' ' TYR . 63.8 mt-30 -69.01 -36.51 77.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.408 179.427 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.01 -42.25 66.62 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.385 -179.876 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 690' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 687' ' ' CYS . 0.8 OUTLIER -64.91 -38.76 92.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.93 0.395 . . . . 0.0 110.641 -179.864 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -88.8 -18.21 28.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.976 179.654 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.407 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.78 -44.39 66.53 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.594 -179.423 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.486 ' O ' ' CD2' ' A' ' 696' ' ' HIS . 2.2 tt0 -56.86 -47.46 80.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.961 0.41 . . . . 0.0 110.564 -179.922 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -71.05 -36.03 72.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.172 0.511 . . . . 0.0 110.352 178.253 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.534 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 3.6 t60 -59.3 -31.34 69.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.624 -178.666 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.486 ' CD2' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -65.55 -9.84 29.96 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.284 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -74.55 -30.32 61.7 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.713 0.292 . . . . 0.0 110.823 179.175 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.6 pp -124.16 0.17 5.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -179.381 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 6.1 t -104.82 159.83 15.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.799 0.333 . . . . 0.0 111.001 -179.856 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 68.78 27.6 73.74 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.45 -179.855 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -100.06 114.74 28.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.323 . . . . 0.0 110.949 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 24.4 p -97.59 39.6 1.2 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.42 118.02 8.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -127.16 35.42 4.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -88.46 135.05 33.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.073 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -125.76 123.67 39.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.974 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.805 0.336 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 15.0 p -105.41 130.88 53.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 30.9 t -65.5 -43.04 91.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -166.13 54.69 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.98 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 662' ' ' SER . . . . . 0.401 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER -126.97 141.8 51.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.839 179.935 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.649 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 20.7 t -69.84 129.14 38.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.882 0.372 . . . . 0.0 110.807 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.453 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.7 m0 -55.6 -19.06 9.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.745 -179.656 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -111.34 -62.45 1.55 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.777 0.322 . . . . 0.0 110.887 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.644 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 66.7 m -52.24 -42.64 63.79 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -178.078 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.41 -1.16 88.18 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.227 -0.987 . . . . 0.0 112.537 -179.537 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.03 -72.41 0.65 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.903 0.382 . . . . 0.0 111.164 -179.893 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 669' ' ' LYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 2.3 tppt? -154.32 148.08 25.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.278 -179.797 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 670' ' ' ALA . . . . . 0.649 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -131.97 147.94 52.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.949 179.717 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.09 -33.23 2.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.484 -179.762 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -86.76 149.72 24.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.053 0.454 . . . . 0.0 111.155 -179.503 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 62.8 m -131.84 140.3 49.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.038 -179.651 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.89 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 36.7 t -48.49 121.08 4.14 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.145 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 65.5 m -78.27 -15.24 58.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.112 179.731 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.23 -31.53 22.42 Favored Glycine 0 C--N 1.332 0.361 0 C-N-CA 120.724 -0.751 . . . . 0.0 113.22 -179.478 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 30.7 p -126.32 -7.31 6.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 117.231 0.516 . . . . 0.0 112.013 -179.79 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 24.8 m120 55.84 25.74 8.85 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.712 0.291 . . . . 0.0 111.357 179.721 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 3.0 m -118.77 -62.81 1.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.304 -179.679 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.89 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -49.93 143.96 7.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.293 -179.872 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -129.59 140.96 51.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 -179.927 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -149.45 167.8 25.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.952 0.406 . . . . 0.0 110.774 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 27.0 p -97.46 -16.11 20.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.556 -179.855 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -161.05 177.9 37.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.351 -0.928 . . . . 0.0 113.012 -179.649 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 10.1 m -68.12 -40.03 82.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.727 0.299 . . . . 0.0 111.255 -179.914 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -60.94 -46.43 90.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.835 0.35 . . . . 0.0 110.638 -179.866 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.95 -39.31 85.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.763 179.79 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -69.45 -34.69 74.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.363 179.443 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -71.76 -39.36 70.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.791 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -42.86 96.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.574 179.817 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -87.18 -17.81 31.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.052 179.845 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.413 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.78 -45.48 67.15 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.665 -179.365 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.415 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 2.4 tt0 -56.13 -47.4 78.23 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.533 -179.699 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -71.26 -35.98 71.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.488 178.206 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.498 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 6.1 t60 -59.12 -31.23 68.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.326 -178.55 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.415 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -63.14 -11.59 21.5 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -179.442 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -74.43 -28.71 61.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.661 0.267 . . . . 0.0 111.019 179.567 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.1 pt -122.64 -0.59 6.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.334 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.8 t -103.1 161.89 13.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.847 0.356 . . . . 0.0 110.96 -179.702 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 91.86 -54.4 2.98 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.472 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 58.3 28.5 16.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.779 0.323 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -152.85 178.79 9.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.81 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 1.1 tt -170.8 92.69 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -88.45 137.75 32.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -143.51 132.82 23.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.056 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -116.45 -39.75 3.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.831 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.758 0.313 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 53.6 p -162.52 98.69 1.01 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 1.3 m -134.91 -65.18 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 60.37 47.83 8.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.929 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 19.9 m -111.75 136.47 50.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.817 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.7 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 27.4 t -66.76 129.55 40.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.882 0.372 . . . . 0.0 110.779 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.463 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.5 m0 -55.31 -19.03 7.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.835 -179.6 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -111.88 -62.51 1.55 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.96 0.409 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.637 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 68.8 m -52.54 -43.14 64.98 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -178.096 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.23 -0.83 88.43 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.197 -1.001 . . . . 0.0 112.558 -179.531 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.48 -67.83 0.83 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.867 0.365 . . . . 0.0 111.151 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -159.03 147.5 18.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.297 -179.789 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 670' ' ' ALA . . . . . 0.7 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -131.3 147.29 52.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.924 179.737 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.27 -32.67 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.468 -179.642 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -86.8 149.85 24.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.034 0.445 . . . . 0.0 111.177 -179.468 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 33.0 m -132.0 140.18 48.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.041 -179.696 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.878 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 41.3 t -48.54 121.31 4.39 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.224 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.56 -15.25 58.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.075 179.69 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.2 -32.19 20.83 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 120.69 -0.767 . . . . 0.0 113.212 -179.392 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 29.4 p -125.87 -7.15 6.69 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 117.272 0.536 . . . . 0.0 112.007 -179.742 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 3.7 m120 56.06 25.87 9.41 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.771 0.32 . . . . 0.0 111.352 179.763 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 5.9 m -118.55 -63.4 1.41 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.27 -179.678 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.878 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -50.02 147.8 3.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.312 -179.864 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -134.52 141.88 46.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.885 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 682' ' ' TYR . . . . . 0.414 ' CE2' ' HG3' ' A' ' 688' ' ' GLN . 77.8 m-85 -149.5 166.72 28.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.684 179.841 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 27.3 p -95.86 -15.57 22.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.473 -179.877 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -161.09 177.96 37.24 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.386 -0.911 . . . . 0.0 112.935 -179.707 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.16 -40.32 82.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.676 0.274 . . . . 0.0 111.213 -179.887 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -60.93 -46.36 90.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.37 . . . . 0.0 110.675 -179.876 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.0 -39.56 86.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.776 179.855 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 688' ' ' GLN . . . . . 0.414 ' HG3' ' CE2' ' A' ' 682' ' ' TYR . 42.9 tt0 -68.96 -34.34 75.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.43 179.417 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.75 -39.24 70.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.952 179.781 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -64.99 -41.72 95.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.581 179.869 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.74 -18.4 29.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.982 179.848 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.411 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.77 -45.41 67.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.581 -179.344 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.414 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 2.8 tt0 -56.07 -47.38 78.06 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.599 -179.746 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -71.29 -35.88 71.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.159 0.504 . . . . 0.0 110.54 178.227 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.55 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 6.8 t60 -59.2 -31.11 68.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.387 -178.589 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.414 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -63.29 -11.13 19.48 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -179.643 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -74.37 -28.95 61.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.682 0.277 . . . . 0.0 111.034 179.48 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.5 pt -122.33 -0.32 6.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -179.391 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.5 t -103.34 159.68 15.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.864 0.364 . . . . 0.0 111.02 -179.733 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 95.26 -40.08 2.74 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.508 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -60.02 174.65 0.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 42.8 p -116.68 -44.78 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 86.0 mt -88.93 -178.37 5.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.913 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -90.82 122.94 33.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -120.71 85.93 2.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.086 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -176.09 124.85 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.831 0.348 . . . . 0.0 110.816 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.3 m -160.91 136.01 7.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.921 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 16.4 m -144.45 171.56 14.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.958 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.2 52.25 1.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.788 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 2.9 t -96.06 150.37 20.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.813 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.629 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 21.5 t -70.21 129.09 38.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.913 0.387 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.453 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.4 m0 -55.47 -19.36 9.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.786 -179.579 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -111.52 -61.96 1.62 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.851 0.358 . . . . 0.0 111.062 -179.809 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.629 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 67.9 m -52.82 -42.44 65.12 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -178.024 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.77 -1.45 88.2 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.217 -0.992 . . . . 0.0 112.511 -179.521 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.14 -69.06 0.78 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.945 0.402 . . . . 0.0 111.198 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 11.6 tptt -153.72 144.3 22.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.198 -179.822 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -100.5 -152.59 0.43 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.839 179.821 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 173.42 -57.83 0.01 OUTLIER 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.874 0.368 . . . . 0.0 110.792 179.911 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -86.97 155.46 20.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.978 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 69.3 m -129.75 140.2 51.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.999 -179.616 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.901 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 41.6 t -49.64 121.53 5.28 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.835 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 80.9 p -77.83 -15.71 58.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.096 179.627 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.19 -31.82 21.81 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.728 -0.749 . . . . 0.0 113.192 -179.435 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 29.2 p -126.82 -7.52 6.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 117.35 0.575 . . . . 0.0 112.043 -179.777 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 55.98 26.43 9.9 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.68 0.276 . . . . 0.0 111.48 179.674 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 2.0 m -120.04 -61.72 1.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 0.0 111.387 -179.589 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.901 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -49.07 137.74 12.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.552 -179.68 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 4.9 mmt85 -122.49 143.1 49.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -149.45 167.71 25.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.687 179.837 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 16.9 p -96.83 -15.94 21.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.299 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -162.85 179.54 38.05 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.837 -179.721 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 28.1 p -68.15 -40.79 82.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.708 0.29 . . . . 0.0 111.412 -179.731 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -60.91 -46.52 90.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.805 0.335 . . . . 0.0 110.847 -179.719 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.08 -37.65 77.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.899 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -69.07 -35.33 76.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.503 179.458 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -71.77 -40.08 69.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.729 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 16.5 mmtm -64.55 -43.05 95.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.612 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -85.79 -17.71 35.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.979 179.786 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.407 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.86 -45.74 67.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.671 -179.377 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.423 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 0.1 OUTLIER -56.12 -47.47 78.05 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.583 -179.761 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -71.14 -35.88 71.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.51 178.311 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.582 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 6.5 t60 -58.98 -31.11 68.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.436 -178.519 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.423 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -62.78 -10.53 13.26 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.5 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -74.32 -33.28 63.13 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.648 0.261 . . . . 0.0 111.05 179.599 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.0 pp -118.43 0.37 8.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.521 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.8 t -104.41 160.19 15.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.877 0.37 . . . . 0.0 110.987 -179.821 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 76.31 29.16 58.74 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.514 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -69.29 -31.33 69.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.3 91.17 3.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.76 100.5 3.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.16 87.16 4.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -148.89 146.49 27.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -93.74 86.47 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.986 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.761 0.315 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 2.0 m -86.75 -34.55 19.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.929 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 5.1 t -108.01 131.95 54.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.799 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -119.34 64.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 36.3 m -101.19 145.21 29.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.889 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.649 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 33.7 t -70.59 129.78 40.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.927 0.394 . . . . 0.0 110.882 -179.872 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.465 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.3 m0 -54.73 -19.16 5.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.917 -179.593 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -112.84 -61.53 1.72 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.881 0.372 . . . . 0.0 111.069 -179.727 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.649 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 67.1 m -52.43 -43.02 64.62 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -178.024 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 83.12 -2.03 87.67 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.229 -0.986 . . . . 0.0 112.515 -179.504 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -99.77 -67.88 0.83 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.882 0.373 . . . . 0.0 111.143 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -155.02 145.33 21.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.237 -179.86 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -102.13 -152.15 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 25.0 p 172.91 -57.21 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.888 0.375 . . . . 0.0 110.701 179.702 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -86.96 154.97 20.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.948 -179.808 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 4.8 m -131.88 140.21 49.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.963 -179.695 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.887 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 36.2 t -48.75 120.76 4.02 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.15 179.937 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.06 -15.45 58.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.005 179.751 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.28 -31.47 22.4 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.768 -0.73 . . . . 0.0 113.231 -179.486 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.9 p -126.8 -7.68 6.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 117.301 0.55 . . . . 0.0 111.993 -179.741 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 56.17 26.41 10.25 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.694 0.283 . . . . 0.0 111.351 179.738 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 2.6 m -119.1 -63.35 1.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.839 0.352 . . . . 0.0 111.411 -179.657 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.887 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -49.1 139.88 10.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.401 -179.857 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.95 142.36 51.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.956 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -148.79 170.46 18.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.831 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 17.3 p -96.09 -15.61 22.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.438 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -165.57 -179.09 39.07 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.854 -179.8 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 55.0 p -68.23 -39.95 82.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.584 0.23 . . . . 0.0 111.427 -179.755 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -60.99 -46.62 90.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.75 0.31 . . . . 0.0 110.861 -179.686 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -61.59 -38.87 89.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.963 179.923 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -69.91 -34.23 73.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.424 179.502 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 3.0 m80 -71.79 -39.83 69.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.939 179.845 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -64.46 -42.63 95.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.607 179.878 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -86.57 -17.75 33.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.963 179.808 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.408 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.93 -45.17 67.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.739 -179.41 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.434 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 12.5 tp10 -56.95 -47.78 79.86 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.821 -179.583 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 694' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 695' ' ' HIS . 8.9 ptmt -71.3 -35.98 71.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.079 0.466 . . . . 0.0 110.457 178.154 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.665 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 20.9 t60 -59.09 -31.24 68.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.375 -178.631 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.434 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -61.79 -10.8 9.86 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.425 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -74.0 -40.86 62.65 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.709 0.29 . . . . 0.0 110.909 179.629 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.7 pp -106.82 -0.61 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.945 -179.569 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.5 t -101.8 148.71 24.96 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.83 0.348 . . . . 0.0 110.991 -179.825 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 84.45 -55.47 5.0 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.566 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -57.16 -44.83 83.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.804 0.335 . . . . 0.0 111.028 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 5.5 p -60.44 154.18 21.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 179.92 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.03 112.73 10.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.58 90.06 3.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -160.67 170.2 21.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.078 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -141.96 -72.79 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.996 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.804 0.335 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.2 m -98.53 30.62 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.006 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.17 90.69 3.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 61.72 70.87 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 662' ' ' SER . . . . . 0.401 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 2.3 t -124.75 146.14 49.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.711 179.876 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.64 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 19.0 t -68.37 129.19 39.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.942 0.401 . . . . 0.0 110.822 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.459 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.0 m0 -56.04 -18.48 9.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.735 -179.64 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -111.69 -62.26 1.58 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.873 0.368 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.64 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 68.1 m -52.97 -42.85 65.91 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -178.129 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.19 -0.78 88.44 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.227 -0.987 . . . . 0.0 112.534 -179.489 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.93 -71.72 0.67 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.867 0.365 . . . . 0.0 111.102 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 669' ' ' LYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -155.81 148.01 23.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.271 -179.816 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 670' ' ' ALA . . . . . 0.624 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -133.52 148.99 51.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.901 179.739 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.5 m -126.86 -30.46 2.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.594 -179.784 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -86.75 149.82 24.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.007 0.432 . . . . 0.0 111.225 -179.515 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 45.6 m -131.89 140.25 49.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.991 -179.8 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.882 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 37.9 t -48.68 121.6 4.75 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.176 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.22 -15.32 58.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.018 179.778 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.99 -31.39 20.58 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.727 -0.749 . . . . 0.0 113.25 -179.429 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 30.0 p -127.08 -7.71 5.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 117.335 0.567 . . . . 0.0 112.053 -179.689 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 56.48 26.04 10.42 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.698 0.285 . . . . 0.0 111.279 179.737 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 19.2 m -118.74 -62.78 1.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.278 -179.658 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.882 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -51.58 147.38 6.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.188 -179.9 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -134.67 142.88 46.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.987 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -149.55 166.29 29.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.708 179.908 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 24.9 p -95.62 -15.43 22.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.442 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -161.21 178.38 37.17 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.407 -0.902 . . . . 0.0 112.899 -179.736 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 10.7 m -68.18 -40.48 82.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.664 0.269 . . . . 0.0 111.195 -179.863 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -60.9 -46.43 90.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.696 -179.923 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.99 -39.68 86.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.844 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -69.32 -34.51 74.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.315 179.42 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -71.74 -39.31 70.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.855 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -42.27 95.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.609 179.879 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -87.58 -17.96 30.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.986 179.863 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.411 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.77 -45.29 67.06 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.655 -179.403 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.422 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 0.5 OUTLIER -56.17 -47.32 78.49 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.59 -179.823 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt -71.29 -36.1 71.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.137 0.494 . . . . 0.0 110.536 178.195 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.603 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 7.5 t60 -59.14 -31.19 68.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.481 -178.562 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.422 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -62.69 -10.72 13.55 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -179.625 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 -74.32 -35.76 63.66 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.73 0.3 . . . . 0.0 111.076 179.593 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.1 pp -115.37 -0.46 9.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.336 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.4 t -100.17 150.6 22.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.902 0.382 . . . . 0.0 110.847 -179.948 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 69.08 21.94 75.74 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.842 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -147.3 83.7 1.56 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.821 0.343 . . . . 0.0 110.815 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -91.07 140.65 29.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.99 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 4.5 tp 59.54 89.8 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 179.942 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -83.23 140.77 32.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -126.27 151.3 47.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.122 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -164.62 -66.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.807 0.336 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 88.2 p -98.71 31.28 2.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.47 29.74 7.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -169.96 92.17 0.21 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -144.4 130.63 19.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.772 179.911 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.649 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 22.5 t -70.84 129.45 39.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.832 0.349 . . . . 0.0 110.854 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.46 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.8 m0 -55.99 -18.53 9.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.769 -179.602 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -111.62 -62.62 1.53 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.923 0.392 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.649 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 67.5 m -52.02 -43.12 63.54 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -178.231 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.88 -0.64 88.16 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.243 -0.979 . . . . 0.0 112.614 -179.549 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -98.17 -68.8 0.79 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.817 0.342 . . . . 0.0 111.165 -179.862 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.54 148.17 19.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.287 -179.812 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 670' ' ' ALA . . . . . 0.612 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -134.15 149.83 51.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.937 179.652 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.4 p -126.82 -30.45 2.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.513 -179.7 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -86.79 149.67 24.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.038 0.447 . . . . 0.0 111.291 -179.452 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 53.9 m -131.89 140.21 49.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.973 -179.752 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.872 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 39.6 t -48.61 121.32 4.43 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.154 179.894 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.49 -15.17 58.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.063 179.699 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.48 -31.97 20.52 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.771 -0.728 . . . . 0.0 113.233 -179.511 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.8 p -126.26 -7.44 6.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 117.383 0.591 . . . . 0.0 111.92 -179.66 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 56.4 25.9 10.1 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.785 0.326 . . . . 0.0 111.446 179.818 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 7.5 m -118.85 -63.22 1.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.842 0.353 . . . . 0.0 111.298 -179.631 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.872 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -50.89 148.18 4.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.306 -179.838 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -134.69 142.44 46.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.93 -179.877 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -149.53 165.94 30.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.682 179.877 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 25.7 p -95.42 -16.01 22.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.407 -179.925 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -161.75 178.65 37.54 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.329 -0.938 . . . . 0.0 112.898 -179.721 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 96.5 p -68.14 -40.37 82.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.701 0.286 . . . . 0.0 111.228 -179.806 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -60.86 -46.56 90.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.874 0.369 . . . . 0.0 110.738 -179.84 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.8 -40.7 93.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.767 179.733 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -69.34 -34.53 74.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.375 179.489 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -71.75 -38.56 70.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.909 179.811 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 3.0 mmtm -64.67 -43.39 93.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.641 179.816 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -86.91 -17.68 32.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.065 179.834 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.408 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.7 -45.03 66.7 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.582 -179.408 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.428 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 12.8 tt0 -56.12 -47.42 78.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.874 0.369 . . . . 0.0 110.512 -179.846 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.13 -36.11 71.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.475 178.197 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.541 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 7.4 t60 -59.14 -31.08 68.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.473 -178.59 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.428 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -62.41 -10.77 12.5 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -179.456 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -74.15 -40.8 62.35 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.73 0.3 . . . . 0.0 111.052 179.64 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.4 pt -110.29 -0.47 9.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.464 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 14.1 t -110.21 159.34 17.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.888 0.375 . . . . 0.0 111.047 -179.716 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 107.52 -26.81 17.02 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.588 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 61.7 31.24 18.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.799 0.333 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.36 146.43 24.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.06 -49.46 6.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.935 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -94.33 110.54 22.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -114.67 99.42 7.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.082 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -162.68 32.68 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 1.5 t0 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.807 0.337 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 29.5 t -69.42 113.26 6.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.51 155.23 40.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.921 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -105.82 59.84 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 179.915 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 20.4 p -107.01 150.33 26.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.833 179.957 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.651 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 21.5 t -68.2 129.14 39.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.958 0.408 . . . . 0.0 110.757 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.458 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.3 m0 -55.47 -18.27 6.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.787 -179.6 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -112.45 -62.16 1.62 Allowed 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 120.787 0.327 . . . . 0.0 110.811 -179.914 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.651 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 66.3 m -52.66 -43.51 65.57 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -177.98 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.7 -0.78 89.16 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.275 -0.964 . . . . 0.0 112.503 -179.579 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.8 -69.04 0.77 Allowed 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.826 0.346 . . . . 0.0 111.185 -179.853 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -157.92 147.68 20.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.267 -179.786 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 670' ' ' ALA . . . . . 0.65 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -131.81 147.91 52.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.885 179.736 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 67.5 m -125.72 -32.08 2.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.531 -179.801 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.86 149.59 24.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.05 0.453 . . . . 0.0 111.188 -179.469 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 15.2 m -131.93 140.32 48.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.941 -179.763 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.894 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 32.9 t -48.7 121.32 4.48 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.209 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.22 -15.51 58.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.061 179.673 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.7 -31.4 21.38 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.817 -0.706 . . . . 0.0 113.239 -179.423 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 29.4 p -126.62 -7.7 6.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 117.236 0.518 . . . . 0.0 112.053 -179.733 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 56.14 25.94 9.65 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.668 0.27 . . . . 0.0 111.339 179.768 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 43.1 m -118.79 -62.96 1.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.872 0.367 . . . . 0.0 111.391 -179.718 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.894 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -50.32 145.49 6.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.349 -179.868 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 8.8 mmt180 -131.37 141.05 49.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 682' ' ' TYR . . . . . 0.426 ' CE1' ' HB2' ' A' ' 691' ' ' ASP . 90.7 m-85 -149.46 165.38 32.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.74 179.848 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 25.0 p -94.87 -15.94 23.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.475 -179.893 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -162.74 179.47 37.99 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.384 -0.912 . . . . 0.0 112.915 -179.636 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.22 -39.73 82.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.662 0.268 . . . . 0.0 111.245 -179.865 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 686' ' ' PHE . . . . . 0.4 ' CE2' ' SG ' ' A' ' 687' ' ' CYS . 44.6 p90 -60.82 -46.63 89.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 110.698 -179.829 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 687' ' ' CYS . . . . . 0.4 ' SG ' ' CE2' ' A' ' 686' ' ' PHE . 1.8 m -61.45 -41.04 96.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 179.802 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 688' ' ' GLN . . . . . 0.421 ' HG3' ' CD2' ' A' ' 682' ' ' TYR . 40.1 tt0 -68.56 -35.28 77.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.352 179.486 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -71.74 -39.28 70.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.909 179.851 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -43.14 95.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.0 0.428 . . . . 0.0 110.554 179.846 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 691' ' ' ASP . . . . . 0.426 ' HB2' ' CE1' ' A' ' 682' ' ' TYR . 4.7 m-20 -86.84 -17.7 32.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.975 179.849 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.41 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.69 -45.22 66.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.626 -179.361 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.414 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 22.3 tt0 -56.17 -47.47 78.2 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.548 -179.81 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -71.21 -36.07 71.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.132 0.492 . . . . 0.0 110.55 178.226 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 9.0 t60 -59.34 -31.15 68.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.348 -178.513 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.414 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -63.0 -11.55 19.7 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 -179.52 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -74.32 -28.3 61.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.724 0.297 . . . . 0.0 111.172 179.472 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.1 pp -122.06 -0.45 7.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.401 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.1 t -101.76 150.77 22.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.865 0.364 . . . . 0.0 110.969 -179.897 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 95.71 -36.45 3.83 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.448 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -62.26 151.47 36.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.828 0.347 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 71.5 p -104.96 32.38 4.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 10.9 tp -132.63 147.95 52.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 60.46 34.2 20.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.933 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -129.86 -45.8 1.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -60.59 88.42 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.922 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.579 0.228 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.657 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 19.2 t -70.58 129.21 38.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 110.841 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.462 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 13.0 m0 -55.67 -19.36 10.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.726 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -111.39 -62.83 1.49 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.905 0.383 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.618 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 69.6 m -52.58 -42.78 64.81 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -178.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.74 -0.89 87.65 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.2 -1.0 . . . . 0.0 112.534 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.18 -67.63 0.84 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.83 0.348 . . . . 0.0 111.151 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -159.99 147.89 16.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.233 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . 0.657 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -132.89 148.55 52.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.003 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 31.8 m -126.28 -30.65 2.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.603 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -86.65 150.19 24.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.027 0.441 . . . . 0.0 111.168 -179.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 87.8 m -129.82 140.16 51.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.052 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.853 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 40.2 t -49.92 122.03 6.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.087 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.07 -15.72 58.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.0 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.68 -32.47 18.59 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.771 -0.728 . . . . 0.0 113.252 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 30.9 p -126.04 -7.41 6.59 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 117.401 0.601 . . . . 0.0 112.057 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 56.03 25.62 9.06 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.727 0.299 . . . . 0.0 111.343 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 55.7 m -118.5 -63.11 1.45 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.826 0.346 . . . . 0.0 111.257 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.853 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -50.33 143.14 9.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.318 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.39 142.64 50.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.8 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . 0.445 ' CD2' ' HG2' ' A' ' 688' ' ' GLN . 92.3 m-85 -149.45 170.04 19.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.937 0.399 . . . . 0.0 110.791 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 25.3 p -99.86 -15.67 18.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.601 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -159.08 175.59 36.01 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.304 -0.95 . . . . 0.0 113.093 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.1 -39.74 82.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.73 0.3 . . . . 0.0 111.154 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -60.9 -46.34 91.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.867 0.365 . . . . 0.0 110.589 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.9 m -57.73 -36.57 72.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.747 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . 0.445 ' HG2' ' CD2' ' A' ' 682' ' ' TYR . 34.5 mt-30 -68.01 -36.52 80.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.433 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 41.9 m170 -71.75 -40.11 69.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.016 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -63.34 -44.16 95.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.566 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.32 -16.75 36.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.088 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.44 ' CZ3' ' HB3' ' A' ' 696' ' ' HIS . 2.9 t-105 -52.71 -44.95 66.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.552 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.495 ' O ' ' CD2' ' A' ' 696' ' ' HIS . 2.4 tp10 -56.14 -47.25 78.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.066 0.46 . . . . 0.0 110.476 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.09 -35.93 72.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.383 178.163 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 3.7 t60 -59.55 -31.8 69.75 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.288 0.848 . . . . 0.0 113.288 -178.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 693' ' ' GLU . 0.5 OUTLIER -67.77 -9.48 44.44 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.74 -179.189 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 45.0 m-70 -74.55 -30.18 61.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.872 0.367 . . . . 0.0 110.58 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.1 pp -123.46 -0.7 6.33 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.03 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 7.8 t . . . . . 0 C--N 1.331 -0.222 0 CA-C-O 120.892 0.377 . . . . 0.0 110.864 -179.909 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.668 0.271 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.697 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 16.3 t -63.54 129.05 38.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.903 0.383 . . . . 0.0 110.752 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.449 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 13.2 m0 -56.64 -18.44 12.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.748 -179.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -111.08 -62.46 1.54 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.859 0.361 . . . . 0.0 110.759 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.629 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 68.8 m -52.96 -44.69 67.31 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -178.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 86.59 -1.53 87.19 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.306 -0.949 . . . . 0.0 112.686 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -98.05 -75.29 0.55 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.93 0.395 . . . . 0.0 111.093 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.98 148.12 28.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.367 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . 0.697 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -130.34 146.32 51.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.948 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -123.75 -33.74 3.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.438 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -86.87 151.71 23.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.97 0.414 . . . . 0.0 111.159 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 21.5 m -131.89 140.22 49.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.967 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.88 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 37.7 t -48.68 121.51 4.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.177 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 1.9 p -78.14 -15.38 58.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.064 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.4 -32.43 19.58 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.258 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 31.6 p -125.74 -7.21 6.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 117.319 0.559 . . . . 0.0 112.029 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 56.15 25.59 9.25 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.769 0.319 . . . . 0.0 111.38 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 3.2 m -118.62 -62.96 1.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.286 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.88 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -50.76 148.58 3.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.327 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -134.41 144.21 48.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -149.53 166.05 30.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.73 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 26.6 p -95.52 -15.38 22.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.391 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.23 177.23 36.77 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.827 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 1.4 m -68.12 -39.94 82.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.742 0.306 . . . . 0.0 111.177 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -60.96 -46.45 90.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.901 0.382 . . . . 0.0 110.716 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -58.28 -37.4 74.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -67.86 -35.41 78.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.325 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -71.88 -39.08 69.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.941 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -64.15 -44.72 91.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.514 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.08 -17.45 37.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.006 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.418 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.7 t-105 -52.83 -45.83 67.48 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.683 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.404 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 0.0 OUTLIER -56.04 -47.49 77.76 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.636 -179.713 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -71.21 -36.07 71.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.084 0.469 . . . . 0.0 110.546 178.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.527 ' CE1' HD11 ' A' ' 698' ' ' ILE . 4.1 t60 -59.01 -31.27 68.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.495 -178.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.404 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -63.49 -11.2 21.95 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -179.493 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 -74.5 -27.85 60.73 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.656 0.265 . . . . 0.0 111.104 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . 0.534 HD12 ' C ' ' A' ' 698' ' ' ILE . 2.8 pp -126.05 0.4 4.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -179.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.331 -0.232 0 CA-C-O 120.848 0.356 . . . . 0.0 110.951 -179.907 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.718 0.294 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.649 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 20.0 t -71.84 129.18 37.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.891 0.377 . . . . 0.0 110.892 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.447 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.1 m0 -55.95 -19.1 10.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.735 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -110.93 -62.38 1.55 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.954 0.407 . . . . 0.0 110.913 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.649 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 67.2 m -52.24 -43.73 64.47 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -178.184 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.56 -0.36 89.31 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.281 -0.961 . . . . 0.0 112.651 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -98.99 -71.58 0.69 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.868 0.366 . . . . 0.0 111.084 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.19 146.85 23.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.367 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . 0.609 ' HB2' ' CA ' ' A' ' 663' ' ' CYS . . . -134.69 150.5 50.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.036 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 30.1 p -127.19 -29.24 2.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.572 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -86.83 150.04 24.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.098 0.475 . . . . 0.0 111.144 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 26.4 m -131.94 140.27 48.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.974 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.88 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 43.4 t -48.77 121.34 4.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.159 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.48 -15.4 58.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.048 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.41 -31.94 20.83 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.688 -0.768 . . . . 0.0 113.194 -179.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 27.3 p -126.39 -7.16 6.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 117.332 0.566 . . . . 0.0 112.022 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 56.27 25.87 9.81 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.726 0.298 . . . . 0.0 111.445 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 59.8 m -118.92 -62.59 1.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.777 0.322 . . . . 0.0 111.312 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.88 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -50.92 149.37 3.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.33 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 2.4 mmt85 -134.4 142.18 47.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.87 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -149.52 165.6 31.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.963 0.411 . . . . 0.0 110.695 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 27.4 p -96.61 -15.83 21.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.484 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.59 177.67 36.91 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.879 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 2.8 m -68.16 -40.24 82.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.686 0.279 . . . . 0.0 111.167 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -60.9 -46.44 90.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.847 0.356 . . . . 0.0 110.699 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.68 -39.47 84.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -69.15 -34.23 74.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.246 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 52.5 m170 -71.83 -38.82 70.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.879 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm -65.83 -40.88 92.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.639 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -88.26 -18.44 28.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.011 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.408 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.76 -45.18 66.95 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.564 -179.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.485 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 1.3 tp10 -56.19 -47.43 78.36 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.512 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -70.96 -35.97 72.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.076 0.465 . . . . 0.0 110.175 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.529 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 4.3 t60 -59.35 -31.38 69.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.509 -178.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.485 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 0.7 OUTLIER -65.7 -10.72 39.02 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -179.32 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -74.53 -30.21 61.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.818 0.342 . . . . 0.0 110.731 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.3 pt -122.12 -0.69 7.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.978 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 6.8 t . . . . . 0 C--N 1.331 -0.238 0 CA-C-O 120.842 0.353 . . . . 0.0 111.095 -179.718 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.593 0.235 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.653 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 23.6 t -67.59 129.13 38.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.884 0.373 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.455 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 13.9 m0 -55.49 -19.7 10.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.789 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -110.56 -62.01 1.59 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.881 0.372 . . . . 0.0 110.927 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.653 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 66.7 m -52.65 -42.09 64.38 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -178.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.44 -0.73 88.83 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.235 -0.983 . . . . 0.0 112.619 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -103.02 -70.03 0.77 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.845 0.355 . . . . 0.0 111.198 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.4 143.16 24.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.296 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . 0.423 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -101.9 -151.32 0.42 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.843 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 9.6 t 172.45 -57.5 0.01 OUTLIER 'General case' 0 N--CA 1.461 0.11 0 CA-C-O 120.835 0.35 . . . . 0.0 110.844 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -86.89 155.95 20.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.927 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 26.8 m -131.5 140.22 49.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.085 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.904 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 18.5 t -48.88 121.18 4.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.193 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 10.5 t -77.86 -15.71 58.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.059 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.62 -30.89 22.99 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.715 -0.755 . . . . 0.0 113.224 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 31.7 p -126.65 -8.08 6.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 117.219 0.51 . . . . 0.0 112.02 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 55.86 25.92 9.1 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.66 0.267 . . . . 0.0 111.389 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 10.8 m -119.25 -62.85 1.46 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.844 0.354 . . . . 0.0 111.415 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.904 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -48.76 138.63 10.79 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.488 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -124.66 143.09 50.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.001 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . 0.432 ' CE1' ' HB2' ' A' ' 691' ' ' ASP . 95.3 m-85 -149.46 170.06 19.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.779 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 17.0 p -98.25 -15.94 19.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.352 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -162.92 179.31 38.25 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.43 -0.891 . . . . 0.0 112.807 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 1.1 m -68.23 -41.05 81.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.626 0.25 . . . . 0.0 111.391 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -60.97 -46.52 90.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.849 0.357 . . . . 0.0 110.778 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.53 -37.67 79.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.835 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . 0.411 ' HG3' ' CE2' ' A' ' 682' ' ' TYR . 8.9 tt0 -69.93 -34.58 73.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.445 179.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.68 -40.05 69.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -63.73 -44.28 94.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.7 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . 0.432 ' HB2' ' CE1' ' A' ' 682' ' ' TYR . 1.2 m-20 -85.75 -16.99 37.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.085 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.408 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 3.0 t-105 -52.89 -44.75 67.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.729 -179.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.419 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 1.1 tt0 -57.7 -47.84 81.24 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.984 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -71.53 -35.99 70.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.053 0.454 . . . . 0.0 110.499 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.689 ' CE1' HD11 ' A' ' 698' ' ' ILE . 22.2 t60 -59.17 -31.17 68.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.343 -178.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.419 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -62.52 -10.94 13.53 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -179.486 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -74.28 -25.84 59.84 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.646 0.26 . . . . 0.0 111.116 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . 0.689 HD11 ' CE1' ' A' ' 695' ' ' HIS . 2.7 pp -122.68 -0.11 6.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.331 -0.214 0 CA-C-O 120.818 0.342 . . . . 0.0 110.916 -179.883 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.631 0.253 . . . . 0.0 110.81 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.635 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 18.9 t -69.72 129.11 38.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.447 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.4 m0 -55.82 -18.9 9.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.789 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -111.36 -62.51 1.54 Allowed 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.879 0.371 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.635 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 68.4 m -52.8 -42.92 65.53 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -178.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.58 -0.23 88.31 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.239 -0.981 . . . . 0.0 112.604 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.43 -70.73 0.71 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.892 0.377 . . . . 0.0 111.107 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -156.89 147.23 21.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.212 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . 0.601 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -132.84 148.88 52.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.036 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 66.2 m -126.24 -30.88 2.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.561 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -86.73 150.37 24.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.02 0.438 . . . . 0.0 111.249 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 21.3 m -132.0 140.35 48.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.885 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.851 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 45.3 t -48.6 121.43 4.54 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.196 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 16.4 m -78.33 -15.37 58.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.049 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.5 -31.76 21.03 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.833 -0.699 . . . . 0.0 113.262 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 27.9 p -126.69 -7.33 6.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 117.372 0.586 . . . . 0.0 112.029 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 4.1 m120 56.33 25.89 9.96 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.704 0.287 . . . . 0.0 111.368 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 3.0 m -118.67 -63.25 1.43 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.339 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.851 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -51.15 148.42 4.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.234 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -134.65 143.0 47.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.943 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -149.5 166.93 27.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.983 0.421 . . . . 0.0 110.686 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 27.7 p -96.78 -15.62 21.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.331 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.41 177.47 36.83 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.371 -0.918 . . . . 0.0 112.859 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.14 -40.47 82.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.726 0.298 . . . . 0.0 111.285 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 38.0 p90 -60.85 -46.45 90.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.725 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.86 -37.5 76.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.809 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -72.21 -31.81 66.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.476 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -71.91 -41.39 67.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -34.38 77.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.828 0.346 . . . . 0.0 110.77 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.48 -20.48 21.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.906 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.408 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.79 -44.61 66.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.611 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.48 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 2.7 mm-40 -56.47 -47.46 79.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.009 0.433 . . . . 0.0 110.472 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt -70.89 -36.09 72.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.107 0.479 . . . . 0.0 110.248 178.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.523 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 5.0 t60 -59.42 -31.37 69.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.526 -178.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.48 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 0.7 OUTLIER -65.54 -10.24 33.24 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.405 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -74.53 -30.12 61.65 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.797 0.332 . . . . 0.0 110.857 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.2 pp -122.13 -0.59 7.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.277 -0.42 . . . . 0.0 112.085 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.6 t . . . . . 0 C--N 1.331 -0.197 0 CA-C-O 120.821 0.343 . . . . 0.0 111.069 -179.744 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 19.0 m . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.668 0.27 . . . . 0.0 110.779 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.65 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 23.4 t -68.82 129.17 39.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.843 0.354 . . . . 0.0 110.92 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.455 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.6 m0 -55.01 -19.62 7.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.835 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -111.32 -61.71 1.66 Allowed 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.835 0.35 . . . . 0.0 111.061 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.65 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 67.0 m -52.73 -42.67 65.1 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -178.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.12 -0.68 88.44 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.209 -0.996 . . . . 0.0 112.6 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 3.6 ttm-85 -102.29 -69.14 0.8 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.859 0.361 . . . . 0.0 111.077 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -152.13 143.17 23.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.235 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -101.98 -151.59 0.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.1 m 172.42 -57.26 0.01 OUTLIER 'General case' 0 C--N 1.334 -0.071 0 CA-C-O 120.834 0.349 . . . . 0.0 110.841 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -86.96 154.71 20.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.97 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 59.9 m -131.42 140.22 49.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.976 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.866 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 48.6 t -49.11 120.88 4.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 65.9 p -78.23 -15.21 59.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.13 -31.74 22.18 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.767 -0.73 . . . . 0.0 113.243 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.5 p -126.54 -7.51 6.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 117.321 0.561 . . . . 0.0 111.973 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 3.1 m120 55.9 26.3 9.6 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.686 0.279 . . . . 0.0 111.484 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 21.6 m -119.13 -63.1 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.289 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.866 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -49.26 139.99 10.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.327 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -128.59 140.87 51.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.018 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -147.09 171.18 15.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.695 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 17.5 p -97.92 -15.77 20.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.365 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -162.63 179.33 37.98 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.489 -0.862 . . . . 0.0 112.862 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 10.7 t -68.22 -41.37 81.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.693 0.282 . . . . 0.0 111.343 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -60.85 -46.53 90.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.761 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.7 -38.42 81.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.825 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -69.77 -34.44 73.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.385 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -71.77 -39.4 69.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -41.81 95.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.577 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -87.54 -17.9 30.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.009 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.406 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.86 -45.61 67.48 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.612 -179.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.482 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 3.0 mt-10 -56.09 -47.43 78.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.972 0.415 . . . . 0.0 110.569 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -70.81 -35.85 72.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.195 0.522 . . . . 0.0 110.156 178.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.654 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 9.5 t60 -59.31 -31.31 69.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.534 -178.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.482 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 0.7 OUTLIER -65.34 -10.4 32.59 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -179.374 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 44.3 m-70 -74.36 -29.49 61.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.778 0.323 . . . . 0.0 110.694 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.1 pt -120.17 -0.35 7.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.948 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.33 -0.245 0 CA-C-O 120.907 0.384 . . . . 0.0 111.048 -179.793 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 9.3 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.608 0.242 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.656 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 21.4 t -71.44 128.95 37.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.883 0.373 . . . . 0.0 110.778 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.452 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.0 m0 -55.64 -19.33 10.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.795 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -110.71 -62.19 1.57 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.852 0.358 . . . . 0.0 110.95 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.641 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 67.4 m -52.98 -42.89 65.98 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -178.018 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.13 -0.9 88.22 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.252 -0.975 . . . . 0.0 112.483 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 4.7 ttm-85 -98.77 -68.59 0.8 Allowed 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.781 0.324 . . . . 0.0 111.151 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.25 147.85 19.66 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.297 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . 0.656 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -134.35 149.92 50.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.89 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 4.6 p -126.76 -31.27 2.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.657 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -86.81 149.67 24.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.013 0.435 . . . . 0.0 111.268 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 7.0 m -131.93 140.38 49.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.016 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.888 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 27.1 t -48.42 121.5 4.51 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.142 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.18 -15.46 58.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.069 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.38 -31.26 22.69 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 120.722 -0.751 . . . . 0.0 113.185 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 31.2 p -126.16 -7.67 6.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 117.216 0.508 . . . . 0.0 111.927 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 55.68 25.32 8.05 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.744 0.307 . . . . 0.0 111.358 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 1.5 m -118.25 -63.4 1.42 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.205 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.888 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -49.78 146.88 4.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.12 141.96 48.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.006 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -149.45 166.56 28.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.679 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 25.9 p -96.45 -15.49 21.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.546 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.49 177.76 36.79 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.925 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 40.3 t -68.19 -40.5 82.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.705 0.288 . . . . 0.0 111.153 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -60.96 -46.49 90.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.667 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.63 -39.72 85.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.742 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -69.42 -34.28 74.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.327 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -71.75 -39.89 69.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.92 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -64.13 -42.68 96.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.935 0.398 . . . . 0.0 110.599 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.97 -17.97 31.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.029 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.422 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -53.03 -46.01 68.26 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.482 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 0.1 OUTLIER -56.84 -48.07 78.9 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.89 -179.416 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.44 -36.01 71.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.188 0.518 . . . . 0.0 110.335 178.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.638 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 29.5 t60 -59.57 -31.36 69.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.592 -178.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.482 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 0.7 OUTLIER -64.33 -9.34 17.13 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.298 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -74.35 -26.57 60.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.679 0.275 . . . . 0.0 110.939 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.2 pp -122.12 -0.29 6.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.332 -0.189 0 CA-C-O 120.858 0.361 . . . . 0.0 110.846 179.918 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 48.3 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.562 0.22 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.637 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 20.4 t -69.21 129.16 39.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.951 0.405 . . . . 0.0 110.907 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.447 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.2 m0 -55.48 -18.86 7.95 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.817 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -111.83 -62.05 1.62 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.848 0.356 . . . . 0.0 110.972 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.637 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 68.2 m -52.92 -42.6 65.55 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -178.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.72 -0.42 88.23 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.301 -0.952 . . . . 0.0 112.578 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.29 -69.98 0.76 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.891 0.377 . . . . 0.0 111.132 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -152.29 143.37 23.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.17 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -103.91 -149.53 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 4.6 p 169.35 -53.92 0.01 OUTLIER 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.836 0.35 . . . . 0.0 110.725 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -86.93 154.91 20.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.985 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 46.8 m -131.92 140.22 48.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.988 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.864 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 43.9 t -49.0 121.21 4.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.2 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.1 -15.49 58.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 179.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.41 -31.81 21.16 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.806 -0.711 . . . . 0.0 113.305 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 26.9 p -126.55 -7.53 6.29 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 117.269 0.535 . . . . 0.0 112.009 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 6.4 m120 56.17 26.15 9.94 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.717 0.294 . . . . 0.0 111.419 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 2.2 m -119.1 -63.08 1.44 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.882 0.372 . . . . 0.0 111.404 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.864 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -49.74 143.93 6.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.337 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -131.21 143.52 50.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . 0.405 ' CE2' ' HG3' ' A' ' 688' ' ' GLN . 27.6 m-85 -149.45 168.42 23.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.742 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 18.8 p -95.7 -15.72 22.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.459 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -163.24 180.0 38.06 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.487 -0.864 . . . . 0.0 112.849 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.3 -40.42 81.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.653 0.263 . . . . 0.0 111.278 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -60.94 -46.57 90.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.822 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.13 -39.15 85.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.835 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . 0.405 ' HG3' ' CE2' ' A' ' 682' ' ' TYR . 45.6 tt0 -68.32 -35.5 77.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.383 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -71.72 -39.32 70.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.903 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -65.62 -41.25 92.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.571 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -87.29 -18.3 30.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.935 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.407 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.83 -45.44 67.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.684 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.475 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 42.3 mt-10 -56.14 -47.51 78.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.947 0.403 . . . . 0.0 110.538 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -70.84 -35.95 72.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.164 0.507 . . . . 0.0 110.132 178.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.613 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 5.6 t60 -59.28 -31.32 69.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.555 -178.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.475 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 0.7 OUTLIER -65.2 -10.21 29.68 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -179.407 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 42.4 m-70 -74.4 -30.2 61.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.858 0.361 . . . . 0.0 110.763 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.1 pt -121.43 -0.25 7.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.908 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 11.9 t . . . . . 0 C--N 1.33 -0.25 0 CA-C-O 120.785 0.326 . . . . 0.0 111.12 -179.842 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.622 0.249 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.651 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 34.1 t -69.9 129.76 40.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.885 0.374 . . . . 0.0 110.843 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.463 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.5 m0 -54.72 -19.2 5.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.957 -179.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -112.62 -61.79 1.68 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.917 0.389 . . . . 0.0 111.051 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.651 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 67.5 m -52.32 -43.2 64.41 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -177.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 83.37 -2.12 87.65 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.194 -1.003 . . . . 0.0 112.542 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.28 -69.5 0.76 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.839 0.352 . . . . 0.0 111.138 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -153.52 144.69 22.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -102.33 -151.08 0.42 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.796 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 9.8 p 170.47 -55.57 0.01 OUTLIER 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.924 0.393 . . . . 0.0 110.789 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -86.91 152.97 21.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.005 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 3.9 m -130.51 140.23 50.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.155 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.914 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 16.0 t -48.76 120.88 4.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.149 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.11 -15.57 58.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.01 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -86.27 -30.49 22.24 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.766 -0.73 . . . . 0.0 113.233 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.2 p -127.16 -8.37 5.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 117.234 0.517 . . . . 0.0 112.037 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 16.8 m120 56.3 25.94 9.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.758 0.313 . . . . 0.0 111.451 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 59.4 m -119.0 -63.85 1.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.36 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.914 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -48.65 138.56 10.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.364 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.37 140.45 52.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . 0.422 ' CE1' ' HB2' ' A' ' 691' ' ' ASP . 81.4 m-85 -147.15 170.59 16.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.002 0.429 . . . . 0.0 110.772 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 16.6 p -96.64 -15.73 21.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.523 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -165.33 -179.03 38.91 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.453 -0.88 . . . . 0.0 112.9 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.1 -40.31 82.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.658 0.266 . . . . 0.0 111.447 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -61.0 -46.59 90.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.792 0.33 . . . . 0.0 110.77 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -61.7 -39.3 90.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.826 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -68.39 -35.47 77.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.325 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.8 -39.62 69.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -63.78 -43.89 95.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.552 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . 0.422 ' HB2' ' CE1' ' A' ' 682' ' ' TYR . 3.7 m-20 -85.91 -17.3 35.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.98 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.409 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.91 -45.41 67.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.706 -179.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.43 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 1.6 tm-20 -57.28 -47.82 80.47 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.651 -0.419 . . . . 0.0 111.014 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.55 -35.94 70.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.165 0.507 . . . . 0.0 110.495 178.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.67 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 20.0 t60 -59.11 -31.12 68.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.33 -178.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.43 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -62.28 -10.56 11.34 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -179.524 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -74.19 -29.99 62.0 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.733 0.302 . . . . 0.0 110.973 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.4 pt -119.96 -0.19 7.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 39.1 t . . . . . 0 C--N 1.331 -0.197 0 CA-C-O 120.868 0.366 . . . . 0.0 110.967 -179.661 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.596 0.236 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.595 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 20.5 t -71.71 129.31 38.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.866 0.365 . . . . 0.0 110.951 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.448 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.0 m0 -55.4 -19.94 10.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.794 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -111.25 -62.3 1.57 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.917 0.389 . . . . 0.0 110.955 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.595 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 84.6 m -53.47 -42.41 67.18 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -177.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.53 -1.83 86.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.189 -1.005 . . . . 0.0 112.7 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.36 -69.78 0.75 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.842 0.353 . . . . 0.0 111.064 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -153.08 143.93 22.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.094 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -101.96 -151.24 0.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 8.5 t 171.62 -56.69 0.01 OUTLIER 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.891 0.377 . . . . 0.0 110.816 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -86.97 155.03 20.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.932 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 38.2 m -131.22 140.34 49.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.089 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.906 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 40.6 t -49.08 121.53 4.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.209 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.47 -15.19 58.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.6 -31.24 22.1 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.753 -0.736 . . . . 0.0 113.19 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 30.1 p -126.82 -7.57 6.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 117.28 0.54 . . . . 0.0 111.978 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 55.92 25.94 9.22 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.587 0.232 . . . . 0.0 111.426 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 5.9 m -118.8 -62.83 1.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.278 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.906 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -48.56 140.73 7.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.377 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -129.0 142.01 51.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . 0.447 ' CE1' ' HB2' ' A' ' 691' ' ' ASP . 90.9 m-85 -149.41 171.82 15.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.96 0.41 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 17.7 p -99.05 -16.12 18.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.556 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.82 169.75 36.56 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.31 -0.948 . . . . 0.0 112.936 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 79.4 p -61.26 -39.82 91.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.682 0.277 . . . . 0.0 111.257 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -60.92 -46.51 90.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.875 0.369 . . . . 0.0 110.596 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -57.89 -36.61 72.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.766 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . 0.431 ' HG2' ' CD2' ' A' ' 682' ' ' TYR . 4.3 mt-30 -67.23 -36.87 82.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.496 179.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -71.72 -39.93 69.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.228 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -46.19 90.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.926 0.393 . . . . 0.0 110.698 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . 0.447 ' HB2' ' CE1' ' A' ' 682' ' ' TYR . 12.1 m-20 -85.92 -16.1 39.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.251 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.409 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.74 -45.51 67.05 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.629 -179.262 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.478 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 4.4 mp0 -56.17 -47.42 78.29 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.661 -0.415 . . . . 0.0 110.508 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 11.4 mtpt -71.03 -35.96 72.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.058 0.456 . . . . 0.0 110.27 178.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.608 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 8.2 t60 -59.24 -31.39 69.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.557 -178.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.478 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 0.7 OUTLIER -65.04 -10.15 27.71 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.32 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 -74.46 -28.68 61.14 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.709 0.29 . . . . 0.0 110.882 179.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.2 pp -122.14 -0.34 6.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.33 -0.243 0 CA-C-O 120.846 0.355 . . . . 0.0 110.952 -179.877 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 6.7 m . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.728 0.299 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.661 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 24.9 t -70.49 129.14 38.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.876 0.369 . . . . 0.0 110.925 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.458 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.1 m0 -55.13 -19.37 7.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.867 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -111.52 -61.64 1.67 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.865 0.364 . . . . 0.0 111.056 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.661 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 64.4 m -52.24 -44.97 65.14 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -177.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 86.48 -2.44 87.4 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 120.196 -1.002 . . . . 0.0 112.631 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -100.73 -75.47 0.58 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.863 0.363 . . . . 0.0 111.028 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 7.6 tptt -146.09 144.77 30.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.405 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -102.07 -151.79 0.43 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.884 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 18.9 p 172.69 -56.7 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 120.937 0.398 . . . . 0.0 110.756 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -87.0 155.02 20.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.02 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 63.4 m -131.94 140.24 48.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.873 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.899 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 20.1 t -49.32 120.96 4.45 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.166 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.05 -15.54 58.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.983 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -86.03 -30.53 22.76 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.257 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 29.7 p -127.32 -8.36 5.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 117.3 0.55 . . . . 0.0 111.996 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 56.25 26.34 10.32 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.658 0.266 . . . . 0.0 111.417 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 1.2 m -119.6 -62.76 1.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.386 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.899 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -49.63 139.04 13.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.404 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -126.11 143.08 51.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . 0.43 ' CE1' ' HB2' ' A' ' 691' ' ' ASP . 92.8 m-85 -149.47 169.83 19.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.964 0.411 . . . . 0.0 110.715 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 17.1 p -96.98 -16.26 20.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.339 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -164.26 -179.56 38.52 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.846 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 26.4 m -68.23 -40.34 82.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.643 0.259 . . . . 0.0 111.474 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -60.93 -46.68 89.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.881 0.372 . . . . 0.0 110.835 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.97 -39.18 88.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -69.82 -34.34 73.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.41 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.72 -40.2 69.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.873 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -64.37 -42.25 96.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.563 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . 0.43 ' HB2' ' CE1' ' A' ' 682' ' ' TYR . 0.7 OUTLIER -86.81 -17.66 32.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.932 179.771 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.408 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.89 -45.0 67.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.606 -179.355 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.427 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 1.5 mt-10 -57.45 -47.76 80.95 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.839 -179.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.36 -35.9 71.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.201 0.524 . . . . 0.0 110.495 178.331 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.622 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 15.1 t60 -59.06 -31.13 68.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.24 -178.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.427 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -62.62 -10.49 12.46 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -179.652 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 -74.12 -30.63 62.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.771 0.32 . . . . 0.0 110.98 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.2 pp -118.86 -0.13 8.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.896 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.3 t . . . . . 0 C--N 1.33 -0.244 0 CA-C-O 120.875 0.369 . . . . 0.0 111.038 -179.835 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.596 0.236 . . . . 0.0 110.771 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.65 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 28.9 t -69.18 129.28 39.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.841 0.353 . . . . 0.0 110.877 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.464 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.7 m0 -54.98 -18.87 5.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.865 -179.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -112.46 -62.06 1.63 Allowed 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 120.871 0.367 . . . . 0.0 110.986 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.65 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 66.5 m -52.01 -43.11 63.51 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -178.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 83.21 -1.44 88.69 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.247 -0.977 . . . . 0.0 112.57 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.31 -72.07 0.69 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.861 0.362 . . . . 0.0 111.143 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -149.35 143.98 26.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.186 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -101.99 -151.86 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.92 -57.47 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.882 0.373 . . . . 0.0 110.842 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -86.96 155.31 20.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.99 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 17.7 m -131.89 140.29 49.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.869 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.865 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 49.2 t -49.06 120.76 4.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.125 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.23 -15.26 58.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.069 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.24 -31.79 21.74 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.717 -0.754 . . . . 0.0 113.172 -179.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 26.8 p -126.38 -7.41 6.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 117.298 0.549 . . . . 0.0 112.01 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 56.06 26.18 9.77 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.778 0.323 . . . . 0.0 111.462 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 31.4 m -119.11 -63.37 1.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.369 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.865 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -49.07 140.78 8.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.462 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -128.14 142.53 51.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.001 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -148.98 169.64 20.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.96 0.41 . . . . 0.0 110.728 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 17.5 p -96.54 -15.59 21.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.397 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -164.5 -179.43 38.61 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.896 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.33 -40.47 81.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.569 0.223 . . . . 0.0 111.299 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -60.86 -46.77 89.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.768 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.98 -38.94 87.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -68.46 -35.23 77.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.417 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -71.88 -39.57 69.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.837 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -64.82 -42.2 95.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.643 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.88 -18.0 31.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.977 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.41 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.73 -45.44 66.98 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.654 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.476 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 0.6 OUTLIER -56.17 -47.35 78.43 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.553 -179.882 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -70.87 -35.81 72.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.129 0.49 . . . . 0.0 110.165 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.676 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 8.1 t60 -59.12 -31.3 68.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.538 -0.756 . . . . 0.0 112.572 -178.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.476 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 0.7 OUTLIER -65.05 -10.2 28.23 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -179.352 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -74.37 -29.05 61.39 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.783 0.325 . . . . 0.0 110.816 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.3 pt -121.48 0.06 7.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.973 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.8 t . . . . . 0 C--N 1.33 -0.246 0 CA-C-O 120.828 0.347 . . . . 0.0 111.106 -179.841 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.642 0.258 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.632 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 20.4 t -68.97 129.24 39.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.929 0.395 . . . . 0.0 110.823 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.457 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.2 m0 -55.66 -19.11 9.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.793 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -111.3 -62.25 1.57 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 120.818 0.342 . . . . 0.0 110.841 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.632 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 68.9 m -53.14 -42.67 66.31 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -177.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.75 -0.49 88.18 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.268 -0.967 . . . . 0.0 112.589 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.14 -71.19 0.69 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.877 0.37 . . . . 0.0 111.122 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -156.43 147.56 22.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.254 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . 0.623 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -133.24 149.03 52.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.93 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.5 m -126.48 -30.62 2.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.643 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -86.84 150.48 24.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.009 0.433 . . . . 0.0 111.258 -179.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 4.1 m -131.92 140.25 48.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.001 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.869 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 41.4 t -48.85 121.54 4.78 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.154 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 6.1 p -78.21 -15.48 58.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.013 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.62 -31.78 20.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.732 . . . . 0.0 113.286 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.4 p -126.7 -7.6 6.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 117.3 0.55 . . . . 0.0 112.03 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 5.2 m120 56.43 25.95 10.21 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.656 0.265 . . . . 0.0 111.359 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 59.3 m -118.73 -62.91 1.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.841 0.353 . . . . 0.0 111.234 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.869 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -50.93 147.73 4.79 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.203 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.57 142.75 47.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -149.46 166.67 28.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.65 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 27.2 p -96.19 -15.57 21.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.414 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.56 177.83 36.82 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.45 -0.881 . . . . 0.0 112.918 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 2.5 m -68.11 -40.47 82.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.68 0.276 . . . . 0.0 111.202 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -60.94 -46.41 90.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.816 0.341 . . . . 0.0 110.73 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.29 -39.32 82.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.812 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -70.36 -33.54 71.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.449 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -39.32 69.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -66.24 -39.71 89.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.691 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -88.61 -18.8 27.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.974 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.405 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.69 -45.41 66.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.704 -179.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.48 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 31.4 mt-10 -56.42 -47.49 78.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.966 0.412 . . . . 0.0 110.58 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.93 -36.01 72.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.241 0.544 . . . . 0.0 110.301 178.121 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.561 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 6.4 t60 -59.28 -31.41 69.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.399 -0.819 . . . . 0.0 112.532 -178.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.48 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 0.7 OUTLIER -65.16 -9.93 27.09 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.239 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -74.54 -29.76 61.5 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.763 0.316 . . . . 0.0 110.803 179.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.3 pp -121.62 -0.45 7.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.331 -0.229 0 CA-C-O 120.82 0.343 . . . . 0.0 111.054 -179.794 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 22.1 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.619 0.247 . . . . 0.0 110.779 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.623 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 19.7 t -72.82 129.05 37.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.45 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.4 m0 -55.45 -19.18 8.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.683 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -111.77 -62.15 1.6 Allowed 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 120.85 0.357 . . . . 0.0 110.984 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.623 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 68.1 m -52.69 -42.59 64.93 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -177.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.63 -1.51 87.78 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.205 -0.998 . . . . 0.0 112.526 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.06 -69.43 0.77 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.836 0.351 . . . . 0.0 111.046 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.32 144.42 22.97 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.194 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . 0.424 ' O ' ' HB3' ' A' ' 671' ' ' SER . . . -99.58 -154.77 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.941 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . 0.424 ' HB3' ' O ' ' A' ' 670' ' ' ALA . 5.1 p 176.84 -58.95 0.01 OUTLIER 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.845 0.355 . . . . 0.0 110.648 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . 0.405 ' N ' ' OG ' ' A' ' 671' ' ' SER . 6.8 mm-40 -87.19 157.8 19.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.972 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 13.0 m -131.86 140.15 49.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.931 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.87 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 44.1 t -49.41 121.08 4.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.112 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 1.7 t -78.3 -15.35 58.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.052 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.38 -31.87 21.08 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 113.211 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 26.9 p -126.6 -7.57 6.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 117.365 0.583 . . . . 0.0 112.054 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 53.9 m-20 56.06 26.24 9.85 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.724 0.297 . . . . 0.0 111.499 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 57.4 m -119.64 -62.31 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.852 0.358 . . . . 0.0 111.439 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.87 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -49.48 139.32 12.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.409 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -125.53 143.45 51.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . 0.426 ' CE1' ' HB2' ' A' ' 691' ' ' ASP . 79.1 m-85 -149.33 168.74 22.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.66 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 17.3 p -96.84 -15.71 21.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.307 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -162.24 179.11 37.77 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.81 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.22 -41.11 81.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.68 0.276 . . . . 0.0 111.385 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -60.95 -46.5 90.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.815 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -58.55 -37.18 75.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -68.87 -35.07 76.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.367 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -71.8 -39.78 69.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -65.25 -41.81 93.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.598 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . 0.426 ' HB2' ' CE1' ' A' ' 682' ' ' TYR . 1.3 m-20 -86.73 -17.96 32.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.996 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.405 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.81 -45.45 67.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.542 -179.364 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.473 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 1.7 mt-10 -56.13 -47.38 78.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.948 0.404 . . . . 0.0 110.527 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.82 -35.77 72.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.138 0.494 . . . . 0.0 110.162 178.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.625 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 4.8 t60 -59.23 -31.28 68.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.563 -178.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.473 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 0.7 OUTLIER -65.27 -10.35 31.49 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.322 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 -74.55 -27.94 60.73 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.764 0.316 . . . . 0.0 110.731 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . 0.538 HD11 ' CE1' ' A' ' 695' ' ' HIS . 2.8 pp -124.46 0.01 5.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.996 -179.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 9.1 t . . . . . 0 C--N 1.33 -0.247 0 CA-C-O 120.814 0.34 . . . . 0.0 111.063 -179.763 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.65 0.262 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.612 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 17.1 t -70.75 129.25 38.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.919 0.39 . . . . 0.0 110.97 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.449 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 13.6 m0 -56.2 -18.97 11.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.742 -179.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -111.49 -62.42 1.55 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.79 0.329 . . . . 0.0 110.919 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.612 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 71.1 m -52.85 -42.45 65.21 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -178.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.69 -1.23 88.5 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.272 -0.966 . . . . 0.0 112.696 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.37 -69.15 0.78 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.844 0.355 . . . . 0.0 111.19 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -153.3 144.34 22.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.196 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -101.25 -151.86 0.42 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.994 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.2 m 172.48 -56.82 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 120.884 0.373 . . . . 0.0 110.709 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -86.96 155.93 19.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.928 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 27.1 m -129.69 140.26 51.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.015 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.889 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 32.9 t -49.75 121.72 5.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.037 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.91 -15.75 58.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.062 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.4 -31.76 21.33 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 113.204 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 31.7 p -126.34 -7.82 6.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 117.3 0.55 . . . . 0.0 111.986 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 5.4 m120 55.95 25.98 9.33 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.629 0.252 . . . . 0.0 111.392 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 57.7 m -119.75 -62.18 1.52 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.789 0.328 . . . . 0.0 111.404 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.889 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -49.05 138.35 11.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.515 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.79 143.45 49.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . 0.456 ' CD2' ' CG ' ' A' ' 688' ' ' GLN . 84.3 m-85 -149.49 168.8 22.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.371 . . . . 0.0 110.727 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 17.6 p -97.34 -15.69 20.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.536 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -163.03 179.1 38.47 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.373 -0.917 . . . . 0.0 113.024 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 30.8 p -68.17 -39.94 82.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.636 0.255 . . . . 0.0 111.352 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -60.88 -46.61 89.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.837 0.351 . . . . 0.0 110.659 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.68 -36.69 74.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . 0.456 ' CG ' ' CD2' ' A' ' 682' ' ' TYR . 22.0 mt-30 -65.72 -38.18 88.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.472 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -71.78 -39.63 69.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.13 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -61.99 -47.14 86.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.617 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -84.71 -16.3 42.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.184 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.408 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 3.0 t-105 -52.89 -45.37 67.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.781 -179.368 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.417 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 0.5 OUTLIER -57.23 -47.83 80.35 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.914 -179.431 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.4 -35.97 71.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.136 0.493 . . . . 0.0 110.598 178.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.534 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 7.5 t60 -59.08 -31.08 68.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.597 -0.729 . . . . 0.0 112.323 -178.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.417 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.0 OUTLIER -63.02 -11.25 17.9 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -179.569 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -74.23 -28.44 61.25 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.657 0.265 . . . . 0.0 110.958 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.2 pp -123.04 0.34 6.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.0 t . . . . . 0 C--N 1.33 -0.248 0 CA-C-O 120.756 0.313 . . . . 0.0 111.022 -179.867 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 7.3 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.576 0.226 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.643 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 26.6 t -69.56 129.42 39.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.911 0.386 . . . . 0.0 110.827 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.473 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.7 m0 -55.24 -19.28 7.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.817 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -111.93 -61.92 1.64 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.813 0.339 . . . . 0.0 111.035 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.643 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 66.9 m -52.41 -42.8 64.37 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -178.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.58 -1.31 88.12 Favored Glycine 0 CA--C 1.519 0.344 0 C-N-CA 120.224 -0.988 . . . . 0.0 112.529 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.93 -68.0 0.83 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.839 0.352 . . . . 0.0 111.039 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.08 144.01 21.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.202 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . 0.403 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -101.56 -151.69 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.86 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 172.76 -56.99 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.871 0.367 . . . . 0.0 110.831 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -86.89 155.84 20.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.003 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 82.2 m -131.79 140.19 49.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.904 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.897 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 27.7 t -49.6 120.67 4.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.061 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 14.9 m -77.93 -15.41 59.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.067 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -86.11 -30.72 22.06 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.736 -0.745 . . . . 0.0 113.206 -179.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.0 p -127.27 -8.29 5.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 117.32 0.56 . . . . 0.0 112.076 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 56.48 26.33 10.76 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.63 0.252 . . . . 0.0 111.427 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 57.0 m -119.45 -62.61 1.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.402 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.897 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -49.76 138.55 14.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.467 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 4.1 ttt-85 -126.13 142.88 51.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.943 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . 0.425 ' CE1' ' HB2' ' A' ' 691' ' ' ASP . 77.1 m-85 -149.44 169.68 20.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.933 0.396 . . . . 0.0 110.719 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 16.9 p -97.09 -15.59 20.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.409 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -163.44 179.9 38.26 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.397 -0.906 . . . . 0.0 112.842 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 93.9 p -68.19 -41.32 81.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.717 0.294 . . . . 0.0 111.352 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -60.86 -46.58 90.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.749 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.93 -38.67 83.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . 0.404 ' HG3' ' CE2' ' A' ' 682' ' ' TYR . 12.1 tt0 -69.17 -34.66 75.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.305 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -71.88 -39.92 69.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -65.06 -41.06 95.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.544 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . 0.425 ' HB2' ' CE1' ' A' ' 682' ' ' TYR . 1.9 m-20 -87.24 -18.46 30.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.925 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.406 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 3.0 t-105 -52.97 -45.45 67.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.677 -179.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.423 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 1.3 mt-10 -56.73 -47.89 79.0 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.77 -179.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 695' ' ' HIS . 11.1 pttp -71.36 -35.84 71.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.093 0.473 . . . . 0.0 110.493 178.296 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.66 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 10.4 t60 -59.01 -31.15 68.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.366 -178.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.423 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -62.72 -10.69 13.59 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -179.546 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -74.22 -31.64 62.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.671 0.272 . . . . 0.0 110.909 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.5 pp -118.55 0.25 8.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.911 -179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.33 -0.244 0 CA-C-O 120.805 0.336 . . . . 0.0 111.056 -179.828 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 45.9 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.633 0.254 . . . . 0.0 110.758 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.698 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 19.7 t -66.38 129.48 39.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.837 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.45 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 12.7 m0 -55.92 -18.67 9.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.686 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -111.89 -62.47 1.56 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.866 0.365 . . . . 0.0 110.84 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.624 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 71.4 m -53.05 -42.32 65.67 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.053 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.7 -0.6 87.97 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 120.272 -0.966 . . . . 0.0 112.596 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.68 -70.06 0.74 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.876 0.369 . . . . 0.0 111.116 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -156.59 146.55 21.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.12 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . 0.698 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -131.66 147.95 52.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.967 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.43 -31.66 2.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.495 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -86.85 150.59 24.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.092 0.472 . . . . 0.0 111.054 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 28.6 m -131.85 140.32 49.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.045 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.888 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 49.8 t -48.6 121.09 4.2 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.128 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 10.7 t -78.35 -15.37 58.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.109 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.09 -32.21 21.13 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.752 -0.737 . . . . 0.0 113.262 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 26.9 p -126.16 -7.0 6.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 117.315 0.557 . . . . 0.0 112.015 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 6.5 m120 56.09 26.03 9.65 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.717 0.294 . . . . 0.0 111.328 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 3.1 m -118.85 -62.87 1.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.332 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.888 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -50.78 148.9 3.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.33 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.11 142.96 47.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . 0.408 ' CE2' ' HG3' ' A' ' 688' ' ' GLN . 47.2 m-85 -149.52 165.73 31.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.933 0.397 . . . . 0.0 110.631 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 24.9 p -95.66 -15.43 22.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.564 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -161.31 178.14 37.36 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.367 -0.92 . . . . 0.0 112.961 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.13 -39.67 82.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.699 0.285 . . . . 0.0 111.246 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -60.94 -46.54 90.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.593 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.83 -38.28 78.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . 0.408 ' HG3' ' CE2' ' A' ' 682' ' ' TYR . 41.7 tt0 -67.99 -35.81 78.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.311 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -71.89 -39.43 69.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.824 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -40.84 90.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.566 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -86.87 -18.38 31.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.924 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.445 ' CZ3' ' HB3' ' A' ' 696' ' ' HIS . 2.9 t-105 -52.84 -45.12 67.19 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.605 -179.393 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.501 ' O ' ' CD2' ' A' ' 696' ' ' HIS . 0.1 OUTLIER -56.16 -47.37 78.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.046 0.45 . . . . 0.0 110.442 -179.845 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.04 -35.92 72.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.191 0.52 . . . . 0.0 110.343 178.205 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.606 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 3.3 t60 -59.63 -31.65 69.7 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 113.218 0.822 . . . . 0.0 113.218 -178.266 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.501 ' CD2' ' O ' ' A' ' 693' ' ' GLU . 0.5 OUTLIER -67.63 -9.15 40.52 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.814 -179.228 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -74.4 -30.44 61.95 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.816 0.341 . . . . 0.0 110.51 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.2 pt -123.77 -0.26 6.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.935 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 9.6 t . . . . . 0 C--N 1.331 -0.204 0 CA-C-O 120.877 0.37 . . . . 0.0 110.964 -179.799 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.64 0.257 . . . . 0.0 110.7 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.652 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 25.6 t -71.19 129.1 38.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.9 0.381 . . . . 0.0 110.932 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.465 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.4 m0 -54.62 -19.34 5.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.847 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -112.24 -61.59 1.7 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.835 0.35 . . . . 0.0 111.061 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.652 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 64.4 m -52.27 -43.18 64.26 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -177.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.67 -1.24 88.43 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.158 -1.02 . . . . 0.0 112.538 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.35 -67.9 0.84 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.889 0.376 . . . . 0.0 111.202 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -154.12 143.78 21.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.252 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -100.34 -152.94 0.43 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.2 m 173.69 -58.59 0.01 OUTLIER 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.842 0.353 . . . . 0.0 110.766 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -86.97 154.79 20.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.028 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 48.8 m -131.75 140.22 49.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.985 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.854 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 33.4 t -49.04 120.6 4.04 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.126 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.96 -15.4 59.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.043 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.53 -30.93 23.12 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.8 -0.714 . . . . 0.0 113.189 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.7 p -126.94 -7.97 6.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 117.199 0.5 . . . . 0.0 112.055 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 16.8 m120 55.87 26.4 9.65 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.68 0.276 . . . . 0.0 111.413 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 2.0 m -119.09 -63.86 1.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.367 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.854 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -48.82 136.51 13.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.557 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -123.68 142.62 50.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . 0.424 ' CE1' ' HB2' ' A' ' 691' ' ' ASP . 98.0 m-85 -149.41 170.66 18.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.94 0.4 . . . . 0.0 110.791 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 16.9 p -97.37 -16.26 20.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.324 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -164.28 -179.39 38.43 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.861 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 12.1 m -68.23 -40.66 81.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.751 0.31 . . . . 0.0 111.474 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -60.97 -46.68 89.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.868 0.366 . . . . 0.0 110.838 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -61.31 -39.28 89.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . 0.42 ' HG3' ' CD2' ' A' ' 682' ' ' TYR . 51.3 tt0 -70.43 -34.37 72.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.436 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 52.2 m170 -71.88 -39.58 69.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.014 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.26 -44.39 91.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.621 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . 0.424 ' HB2' ' CE1' ' A' ' 682' ' ' TYR . 8.4 m-20 -85.31 -17.2 37.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.038 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.406 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.78 -45.45 67.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.676 -179.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.477 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 2.0 tt0 -56.27 -47.35 78.76 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.596 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.93 -35.89 72.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.137 0.494 . . . . 0.0 110.154 178.118 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.666 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 19.3 t60 -59.19 -31.23 68.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.484 -0.78 . . . . 0.0 112.6 -178.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.477 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 0.7 OUTLIER -64.28 -9.76 19.56 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -179.343 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -74.36 -28.45 61.13 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.725 0.297 . . . . 0.0 110.887 179.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.1 pt -119.71 -0.45 8.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.989 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 3.8 t . . . . . 0 C--N 1.331 -0.206 0 CA-C-O 120.931 0.395 . . . . 0.0 111.034 -179.797 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.731 0.3 . . . . 0.0 110.743 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.677 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 17.8 t -65.1 129.16 38.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.816 0.341 . . . . 0.0 110.819 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.451 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 12.8 m0 -56.12 -18.76 10.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.703 -179.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -111.44 -62.61 1.53 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.859 0.362 . . . . 0.0 110.776 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.618 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 75.9 m -53.47 -42.07 66.85 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -178.035 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.91 -0.57 88.28 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.165 -1.017 . . . . 0.0 112.563 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.81 -70.42 0.72 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.879 0.371 . . . . 0.0 111.291 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.52 147.33 21.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.156 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . 0.677 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -131.05 147.14 52.59 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.011 179.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.02 -32.16 3.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.409 -179.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -86.77 151.71 23.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.937 0.399 . . . . 0.0 111.143 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 83.4 m -131.87 140.25 49.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.976 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.873 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 44.3 t -49.03 121.76 5.13 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.152 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 78.9 p -78.08 -15.61 58.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.039 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.66 -31.78 20.5 Favored Glycine 0 C--N 1.333 0.365 0 C-N-CA 120.789 -0.72 . . . . 0.0 113.284 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 29.2 p -126.73 -7.51 6.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 117.266 0.533 . . . . 0.0 112.09 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 56.19 26.07 9.89 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.78 0.324 . . . . 0.0 111.426 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 58.7 m -119.08 -62.23 1.54 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.321 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.873 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -51.18 148.23 4.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.294 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 2.6 mmt85 -133.63 143.7 48.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.93 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -149.46 165.42 32.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.927 0.394 . . . . 0.0 110.711 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 25.7 p -95.62 -15.32 22.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.337 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.55 177.47 36.96 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.447 -0.882 . . . . 0.0 112.881 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 30.0 m -68.06 -39.99 82.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.688 0.28 . . . . 0.0 111.215 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -60.97 -46.44 90.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.674 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.01 -37.51 74.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -67.93 -35.77 79.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.43 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -71.83 -39.38 69.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.882 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 28.9 mmtt -64.75 -42.86 94.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.536 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -86.2 -17.79 33.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.965 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.435 ' CZ3' ' HB3' ' A' ' 696' ' ' HIS . 2.9 t-105 -52.72 -45.4 66.92 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.608 -179.324 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.497 ' O ' ' CD2' ' A' ' 696' ' ' HIS . 1.1 tt0 -56.16 -47.46 78.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.037 0.446 . . . . 0.0 110.524 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.98 -36.06 72.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.094 0.473 . . . . 0.0 110.413 178.227 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.588 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 4.1 t60 -59.55 -31.68 69.64 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 -178.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.497 ' CD2' ' O ' ' A' ' 693' ' ' GLU . 0.4 OUTLIER -67.25 -9.2 38.2 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.884 -179.079 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -74.64 -28.62 60.94 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.745 0.307 . . . . 0.0 110.652 178.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.7 pp -124.2 -0.51 5.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.7 t . . . . . 0 C--N 1.332 -0.178 0 CA-C-O 120.783 0.325 . . . . 0.0 110.943 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 69.7 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.645 0.26 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.661 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 18.8 t -70.86 129.45 39.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.35 . . . . 0.0 110.822 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.449 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 12.8 m0 -56.3 -18.86 11.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.764 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -111.72 -62.93 1.48 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.868 0.366 . . . . 0.0 110.806 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.603 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 77.4 m -52.86 -42.49 65.27 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -178.048 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.75 -1.2 86.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.219 -0.991 . . . . 0.0 112.666 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -96.69 -68.87 0.78 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.93 0.395 . . . . 0.0 111.162 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.68 147.49 18.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.129 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . 0.661 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -132.48 148.53 52.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.0 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 44.9 p -125.61 -31.43 2.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.528 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -86.75 151.27 23.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.021 0.439 . . . . 0.0 111.095 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 31.9 m -131.91 140.28 49.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.03 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.907 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 46.4 t -48.7 121.44 4.61 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.089 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 11.3 m -78.52 -15.34 58.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.016 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.33 -32.16 20.52 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 120.786 -0.721 . . . . 0.0 113.254 -179.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.7 p -125.85 -6.98 6.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 117.322 0.561 . . . . 0.0 111.926 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 55.87 25.57 8.7 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.746 0.308 . . . . 0.0 111.385 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 59.8 m -118.19 -63.73 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.186 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.907 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -49.28 146.56 3.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.272 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.54 142.11 46.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . 0.461 ' CD1' ' HG2' ' A' ' 688' ' ' GLN . 86.9 m-85 -149.48 174.35 12.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.001 0.429 . . . . 0.0 110.827 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 25.8 p -102.45 -15.37 16.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.843 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -157.97 174.8 35.28 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.227 -0.987 . . . . 0.0 113.149 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 1.1 m -68.19 -39.71 82.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.702 0.287 . . . . 0.0 111.103 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -60.81 -45.47 94.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.469 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 2.3 m -57.74 -36.48 72.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.807 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . 0.461 ' HG2' ' CD1' ' A' ' 682' ' ' TYR . 74.8 mt-30 -66.76 -36.88 83.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.543 179.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -71.77 -39.44 69.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.123 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -63.04 -44.92 94.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.788 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . 0.406 ' HB2' ' CE2' ' A' ' 682' ' ' TYR . 0.9 OUTLIER -86.71 -16.66 35.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.199 179.872 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.404 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.61 -45.37 66.54 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.631 -179.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.483 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 3.1 mt-10 -56.13 -47.4 78.24 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.577 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.93 -36.0 72.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.044 0.449 . . . . 0.0 110.273 178.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.528 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 3.7 t60 -59.3 -31.48 69.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.626 -0.716 . . . . 0.0 112.536 -178.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.483 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 0.7 OUTLIER -65.95 -10.41 38.86 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.634 -179.503 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 42.7 m-70 -74.39 -30.2 61.86 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.837 0.351 . . . . 0.0 110.81 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.5 pp -124.16 0.02 5.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.123 -179.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.331 -0.208 0 CA-C-O 120.881 0.372 . . . . 0.0 111.071 -179.799 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 6.6 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.688 0.28 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.673 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 18.5 t -66.57 129.02 38.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.863 0.363 . . . . 0.0 110.764 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.451 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 13.1 m0 -55.65 -18.88 8.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.722 -179.652 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -111.62 -62.32 1.57 Allowed 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.874 0.369 . . . . 0.0 110.83 -179.876 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.633 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 69.3 m -53.13 -42.47 66.09 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -178.036 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.22 -0.82 88.43 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.264 -0.97 . . . . 0.0 112.567 -179.561 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.03 -71.42 0.68 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.864 0.364 . . . . 0.0 111.085 -179.932 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.69 147.75 23.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.221 -179.862 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . 0.673 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -131.14 147.12 52.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.922 179.851 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 43.8 m -124.68 -32.55 3.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.441 -179.759 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -86.86 151.13 23.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.997 0.427 . . . . 0.0 111.158 -179.535 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 26.8 m -131.82 140.22 49.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.976 -179.616 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.894 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 42.3 t -48.96 121.47 4.78 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.243 179.872 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.3 -15.53 58.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.024 179.7 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.43 -31.99 20.64 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.696 -0.764 . . . . 0.0 113.232 -179.424 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 27.3 p -126.38 -7.39 6.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 117.312 0.556 . . . . 0.0 112.013 -179.697 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 56.35 25.9 10.0 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.695 0.284 . . . . 0.0 111.403 179.757 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 2.0 m -118.8 -62.94 1.46 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.338 -179.676 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.894 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -50.22 146.83 4.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.318 -179.83 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 4.6 mmt85 -132.42 142.36 49.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . 0.438 ' CE2' ' HG2' ' A' ' 688' ' ' GLN . 91.0 m-85 -149.61 166.48 29.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.927 0.394 . . . . 0.0 110.742 179.872 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 28.6 p -96.37 -15.76 21.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.439 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.16 177.04 36.78 Favored Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.36 -0.924 . . . . 0.0 112.901 -179.639 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 5.7 p -68.13 -39.92 82.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.664 0.268 . . . . 0.0 111.245 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -60.85 -46.51 90.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.596 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.61 -37.94 76.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . 0.438 ' HG2' ' CE2' ' A' ' 682' ' ' TYR . 0.5 OUTLIER -70.33 -34.32 72.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.425 179.482 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -71.76 -39.63 69.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -65.03 -42.05 94.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.604 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.02 -17.86 31.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.994 179.808 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.408 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.76 -45.22 66.99 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.621 -179.433 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.413 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 7.3 tt0 -56.2 -47.34 78.56 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.486 -179.813 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -71.15 -35.95 71.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.499 178.261 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.513 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 3.9 t60 -59.08 -31.14 68.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.367 -178.527 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.413 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.0 OUTLIER -63.28 -10.76 17.39 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -179.617 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -74.32 -36.3 63.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.726 0.298 . . . . 0.0 111.123 179.551 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.6 pp -117.33 0.19 8.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -179.428 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.9 t . . . . . 0 C--N 1.331 -0.197 0 CA-C-O 120.799 0.333 . . . . 0.0 111.021 -179.82 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.676 0.274 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.706 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 19.8 t -63.0 129.45 40.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.903 0.383 . . . . 0.0 110.779 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.464 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 13.6 m0 -55.56 -19.33 9.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.766 -179.698 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -111.59 -62.28 1.58 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.886 0.374 . . . . 0.0 110.917 -179.813 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.616 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 72.4 m -53.48 -42.25 67.04 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -178.032 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 83.04 -1.35 88.83 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.227 -0.987 . . . . 0.0 112.477 -179.457 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.56 -73.98 0.57 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.884 0.373 . . . . 0.0 111.081 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -152.98 146.83 25.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.142 -179.669 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . 0.706 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -128.01 144.9 51.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 179.69 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 2.9 m -123.84 -34.2 3.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.347 -179.72 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -86.81 151.04 23.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.979 0.419 . . . . 0.0 111.13 -179.542 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 25.8 m -131.94 140.2 48.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.007 -179.748 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.865 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 40.2 t -48.59 121.71 4.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.241 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 65.1 m -78.39 -15.56 58.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.978 179.701 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.23 -32.68 19.5 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 113.298 -179.41 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 30.4 p -125.68 -7.0 6.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 117.326 0.563 . . . . 0.0 112.036 -179.773 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 11.4 m120 55.91 25.72 8.95 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.751 0.31 . . . . 0.0 111.402 179.775 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 17.2 m -118.5 -63.53 1.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.321 -179.731 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.865 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -50.56 148.03 4.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.255 -179.886 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 -134.62 144.22 47.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -149.48 166.38 29.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.711 179.866 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 24.3 p -94.83 -15.59 23.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.372 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.99 178.28 37.02 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.82 -179.711 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.12 -39.93 82.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.728 0.299 . . . . 0.0 111.297 -179.905 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -60.89 -46.45 90.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.842 -179.795 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.71 -38.16 77.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.914 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -68.83 -35.33 76.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.399 179.458 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 51.9 m170 -71.95 -39.31 69.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.861 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 3.4 mttm -64.77 -43.75 92.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.573 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -85.85 -17.26 36.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.022 179.756 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.412 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.72 -45.23 66.86 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.642 -179.314 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.487 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 5.4 tp10 -56.24 -47.54 78.29 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.527 -179.767 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -70.89 -36.06 72.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.147 0.498 . . . . 0.0 110.181 178.176 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.589 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 4.9 t60 -59.33 -31.42 69.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.527 -0.76 . . . . 0.0 112.509 -178.636 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.487 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 0.7 OUTLIER -65.72 -10.74 39.48 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.607 -179.442 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -74.59 -29.6 61.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.775 0.322 . . . . 0.0 110.777 179.088 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.1 pt -122.61 -0.67 6.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.98 -179.45 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.4 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 120.885 0.374 . . . . 0.0 110.861 -179.938 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.649 0.262 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.651 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 18.6 t -67.52 128.99 38.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.923 0.392 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.457 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.8 m0 -56.03 -18.77 10.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.767 -179.637 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -111.2 -62.35 1.56 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.853 0.359 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.651 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 64.9 m -51.97 -45.84 64.58 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -178.084 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 86.8 -1.27 86.91 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.222 -0.99 . . . . 0.0 112.716 -179.703 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -99.07 -75.46 0.56 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.894 0.378 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -150.11 147.99 28.44 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.557 -179.674 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . 0.621 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -132.83 148.7 52.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.884 179.61 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.09 -31.01 2.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.635 -179.673 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -86.82 150.06 24.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.023 0.439 . . . . 0.0 111.228 -179.432 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 12.8 m -131.86 140.3 49.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.952 -179.821 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.874 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 42.2 t -49.22 121.4 4.86 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.196 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 42.7 t -78.28 -15.52 58.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.026 179.717 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.38 -31.93 20.92 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 113.289 -179.447 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 27.7 p -126.51 -7.54 6.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 117.297 0.548 . . . . 0.0 112.047 -179.746 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 56.52 26.0 10.44 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.724 0.297 . . . . 0.0 111.416 179.772 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.91 -62.81 1.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.284 -179.606 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.874 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -51.16 147.8 5.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.201 -179.912 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -134.6 142.73 47.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.929 -179.867 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -149.55 166.0 30.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.667 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 26.1 p -95.33 -15.69 22.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.477 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -161.54 178.58 37.38 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.992 -179.797 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 52.1 p -68.16 -40.31 82.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.664 0.269 . . . . 0.0 111.224 -179.875 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -60.86 -46.47 90.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.731 -179.844 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.35 -39.84 88.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.844 179.785 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -69.89 -34.13 73.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.43 179.467 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -71.81 -38.98 70.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.888 179.835 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 6.1 mtpp -65.4 -41.49 93.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.652 179.807 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -87.59 -18.37 29.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.092 179.738 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.409 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.79 -45.29 67.11 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.634 -179.374 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.426 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 3.5 tt0 -56.18 -47.38 78.4 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.599 -179.786 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -71.25 -36.0 71.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.485 178.19 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.526 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 5.3 t60 -59.18 -31.21 68.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.336 -178.599 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.426 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -62.43 -10.99 13.25 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -179.459 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -74.11 -40.91 62.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.721 0.296 . . . . 0.0 110.973 179.62 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.7 pp -110.51 -0.36 9.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.474 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 9.1 t . . . . . 0 C--N 1.331 -0.238 0 CA-C-O 120.812 0.339 . . . . 0.0 111.067 -179.715 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.626 0.25 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.695 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 15.7 t -64.65 129.01 38.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.894 0.378 . . . . 0.0 110.863 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.449 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 12.9 m0 -56.07 -18.91 10.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.701 -179.686 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -111.29 -62.58 1.53 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.869 0.366 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.603 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 87.1 m -53.89 -41.77 67.93 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -178.066 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.23 -0.37 87.7 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.195 -1.002 . . . . 0.0 112.612 -179.586 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.81 -67.41 0.85 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.902 0.382 . . . . 0.0 111.195 -179.871 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.54 146.76 16.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.265 -179.734 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . 0.695 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -129.08 145.25 51.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.946 179.78 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.41 -34.19 3.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.321 -179.798 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -86.81 152.12 22.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.942 0.401 . . . . 0.0 111.066 -179.674 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 48.4 m -131.92 140.26 48.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.033 -179.624 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.864 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 39.9 t -48.78 121.99 5.21 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.38 -15.63 58.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.022 179.633 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.2 -32.63 19.7 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.833 -0.699 . . . . 0.0 113.257 -179.394 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 31.0 p -125.65 -7.11 6.82 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 117.277 0.538 . . . . 0.0 111.951 -179.684 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 55.81 25.38 8.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.712 0.291 . . . . 0.0 111.43 179.701 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 7.2 m -118.24 -63.65 1.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.206 -179.661 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.864 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -49.65 146.5 4.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.285 -179.923 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 5.4 mtt85 -133.46 142.8 48.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . 0.478 ' CD2' ' HG2' ' A' ' 688' ' ' GLN . 87.2 m-85 -149.51 170.11 19.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.946 0.403 . . . . 0.0 110.81 179.929 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 28.6 p -98.48 -15.36 19.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.763 -179.665 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -159.63 176.48 36.37 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.288 -0.958 . . . . 0.0 113.159 -179.641 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 65.6 p -68.18 -39.2 82.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.691 0.282 . . . . 0.0 111.294 -179.871 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -60.7 -46.25 91.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.914 0.387 . . . . 0.0 110.559 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . 0.5 ' O ' ' HG2' ' A' ' 690' ' ' LYS . 2.0 m -57.76 -36.28 71.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.737 179.753 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . 0.478 ' HG2' ' CD2' ' A' ' 682' ' ' TYR . 63.8 mt-30 -69.01 -36.51 77.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.408 179.427 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.01 -42.25 66.62 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.385 -179.876 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 687' ' ' CYS . 0.8 OUTLIER -64.91 -38.76 92.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.93 0.395 . . . . 0.0 110.641 -179.864 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -88.8 -18.21 28.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.976 179.654 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.407 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.78 -44.39 66.53 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.594 -179.423 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.475 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 2.2 tt0 -56.86 -47.46 80.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.961 0.41 . . . . 0.0 110.564 -179.922 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -71.05 -36.03 72.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.172 0.511 . . . . 0.0 110.352 178.253 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.534 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 3.6 t60 -59.3 -31.34 69.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.624 -178.666 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.475 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 0.7 OUTLIER -65.55 -9.84 29.96 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.284 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -74.55 -30.32 61.7 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.713 0.292 . . . . 0.0 110.823 179.175 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.6 pp -124.16 0.17 5.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -179.381 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 6.1 t . . . . . 0 C--N 1.33 -0.265 0 CA-C-O 120.799 0.333 . . . . 0.0 111.001 -179.856 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . 0.401 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.74 0.305 . . . . 0.0 110.839 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.649 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 20.7 t -69.84 129.14 38.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.882 0.372 . . . . 0.0 110.807 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.453 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.7 m0 -55.6 -19.06 9.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.745 -179.656 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -111.34 -62.45 1.55 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.777 0.322 . . . . 0.0 110.887 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.644 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 66.7 m -52.24 -42.64 63.79 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -178.078 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.41 -1.16 88.18 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.227 -0.987 . . . . 0.0 112.537 -179.537 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.03 -72.41 0.65 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.903 0.382 . . . . 0.0 111.164 -179.893 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 2.3 tppt? -154.32 148.08 25.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.278 -179.797 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . 0.649 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -131.97 147.94 52.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.949 179.717 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.09 -33.23 2.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.484 -179.762 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -86.76 149.72 24.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.053 0.454 . . . . 0.0 111.155 -179.503 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 62.8 m -131.84 140.3 49.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.038 -179.651 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.89 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 36.7 t -48.49 121.08 4.14 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.145 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 65.5 m -78.27 -15.24 58.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.112 179.731 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.23 -31.53 22.42 Favored Glycine 0 C--N 1.332 0.361 0 C-N-CA 120.724 -0.751 . . . . 0.0 113.22 -179.478 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 30.7 p -126.32 -7.31 6.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 117.231 0.516 . . . . 0.0 112.013 -179.79 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 24.8 m120 55.84 25.74 8.85 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.712 0.291 . . . . 0.0 111.357 179.721 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 3.0 m -118.77 -62.81 1.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.304 -179.679 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.89 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -49.93 143.96 7.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.293 -179.872 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -129.59 140.96 51.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 -179.927 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -149.45 167.8 25.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.952 0.406 . . . . 0.0 110.774 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 27.0 p -97.46 -16.11 20.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.556 -179.855 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -161.05 177.9 37.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.351 -0.928 . . . . 0.0 113.012 -179.649 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 10.1 m -68.12 -40.03 82.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.727 0.299 . . . . 0.0 111.255 -179.914 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -60.94 -46.43 90.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.835 0.35 . . . . 0.0 110.638 -179.866 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.95 -39.31 85.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.763 179.79 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -69.45 -34.69 74.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.363 179.443 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -71.76 -39.36 70.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.791 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -42.86 96.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.574 179.817 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -87.18 -17.81 31.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.052 179.845 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.413 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.78 -45.48 67.15 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.665 -179.365 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.415 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 2.4 tt0 -56.13 -47.4 78.23 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.533 -179.699 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -71.26 -35.98 71.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.488 178.206 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.498 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 6.1 t60 -59.12 -31.23 68.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.326 -178.55 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.415 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -63.14 -11.59 21.5 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -179.442 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -74.43 -28.71 61.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.661 0.267 . . . . 0.0 111.019 179.567 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.1 pt -122.64 -0.59 6.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.334 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.847 0.356 . . . . 0.0 110.96 -179.702 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.61 0.243 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.7 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 27.4 t -66.76 129.55 40.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.882 0.372 . . . . 0.0 110.779 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.463 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.5 m0 -55.31 -19.03 7.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.835 -179.6 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -111.88 -62.51 1.55 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.96 0.409 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.637 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 68.8 m -52.54 -43.14 64.98 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -178.096 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.23 -0.83 88.43 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.197 -1.001 . . . . 0.0 112.558 -179.531 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.48 -67.83 0.83 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.867 0.365 . . . . 0.0 111.151 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -159.03 147.5 18.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.297 -179.789 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . 0.7 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -131.3 147.29 52.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.924 179.737 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.27 -32.67 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.468 -179.642 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -86.8 149.85 24.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.034 0.445 . . . . 0.0 111.177 -179.468 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 33.0 m -132.0 140.18 48.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.041 -179.696 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.878 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 41.3 t -48.54 121.31 4.39 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.224 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.56 -15.25 58.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.075 179.69 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.2 -32.19 20.83 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 120.69 -0.767 . . . . 0.0 113.212 -179.392 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 29.4 p -125.87 -7.15 6.69 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 117.272 0.536 . . . . 0.0 112.007 -179.742 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 3.7 m120 56.06 25.87 9.41 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.771 0.32 . . . . 0.0 111.352 179.763 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 5.9 m -118.55 -63.4 1.41 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.27 -179.678 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.878 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -50.02 147.8 3.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.312 -179.864 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -134.52 141.88 46.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.885 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . 0.414 ' CE2' ' HG3' ' A' ' 688' ' ' GLN . 77.8 m-85 -149.5 166.72 28.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.684 179.841 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 27.3 p -95.86 -15.57 22.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.473 -179.877 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -161.09 177.96 37.24 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.386 -0.911 . . . . 0.0 112.935 -179.707 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.16 -40.32 82.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.676 0.274 . . . . 0.0 111.213 -179.887 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -60.93 -46.36 90.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.37 . . . . 0.0 110.675 -179.876 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.0 -39.56 86.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.776 179.855 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . 0.414 ' HG3' ' CE2' ' A' ' 682' ' ' TYR . 42.9 tt0 -68.96 -34.34 75.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.43 179.417 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.75 -39.24 70.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.952 179.781 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -64.99 -41.72 95.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.581 179.869 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.74 -18.4 29.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.982 179.848 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.411 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.77 -45.41 67.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.581 -179.344 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.414 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 2.8 tt0 -56.07 -47.38 78.06 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.599 -179.746 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -71.29 -35.88 71.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.159 0.504 . . . . 0.0 110.54 178.227 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.55 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 6.8 t60 -59.2 -31.11 68.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.387 -178.589 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.414 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -63.29 -11.13 19.48 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -179.643 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -74.37 -28.95 61.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.682 0.277 . . . . 0.0 111.034 179.48 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.5 pt -122.33 -0.32 6.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -179.391 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.331 -0.228 0 CA-C-O 120.864 0.364 . . . . 0.0 111.02 -179.733 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.657 0.265 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.629 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 21.5 t -70.21 129.09 38.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.913 0.387 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.453 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.4 m0 -55.47 -19.36 9.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.786 -179.579 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -111.52 -61.96 1.62 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.851 0.358 . . . . 0.0 111.062 -179.809 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.629 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 67.9 m -52.82 -42.44 65.12 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -178.024 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.77 -1.45 88.2 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.217 -0.992 . . . . 0.0 112.511 -179.521 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.14 -69.06 0.78 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.945 0.402 . . . . 0.0 111.198 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 11.6 tptt -153.72 144.3 22.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.198 -179.822 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -100.5 -152.59 0.43 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.839 179.821 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 173.42 -57.83 0.01 OUTLIER 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.874 0.368 . . . . 0.0 110.792 179.911 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -86.97 155.46 20.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.978 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 69.3 m -129.75 140.2 51.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.999 -179.616 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.901 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 41.6 t -49.64 121.53 5.28 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.835 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 80.9 p -77.83 -15.71 58.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.096 179.627 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.19 -31.82 21.81 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.728 -0.749 . . . . 0.0 113.192 -179.435 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 29.2 p -126.82 -7.52 6.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 117.35 0.575 . . . . 0.0 112.043 -179.777 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 55.98 26.43 9.9 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.68 0.276 . . . . 0.0 111.48 179.674 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 2.0 m -120.04 -61.72 1.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 0.0 111.387 -179.589 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.901 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -49.07 137.74 12.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.552 -179.68 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 4.9 mmt85 -122.49 143.1 49.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -149.45 167.71 25.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.687 179.837 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 16.9 p -96.83 -15.94 21.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.299 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -162.85 179.54 38.05 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.837 -179.721 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 28.1 p -68.15 -40.79 82.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.708 0.29 . . . . 0.0 111.412 -179.731 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -60.91 -46.52 90.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.805 0.335 . . . . 0.0 110.847 -179.719 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.08 -37.65 77.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.899 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -69.07 -35.33 76.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.503 179.458 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -71.77 -40.08 69.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.729 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 16.5 mmtm -64.55 -43.05 95.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.612 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -85.79 -17.71 35.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.979 179.786 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.407 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.86 -45.74 67.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.671 -179.377 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.423 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 0.1 OUTLIER -56.12 -47.47 78.05 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.583 -179.761 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -71.14 -35.88 71.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.51 178.311 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.582 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 6.5 t60 -58.98 -31.11 68.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.436 -178.519 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.423 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -62.78 -10.53 13.26 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.5 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -74.32 -33.28 63.13 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.648 0.261 . . . . 0.0 111.05 179.599 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.0 pp -118.43 0.37 8.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.521 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.8 t . . . . . 0 C--N 1.331 -0.234 0 CA-C-O 120.877 0.37 . . . . 0.0 110.987 -179.821 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 36.3 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.665 0.269 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.649 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 33.7 t -70.59 129.78 40.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.927 0.394 . . . . 0.0 110.882 -179.872 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.465 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.3 m0 -54.73 -19.16 5.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.917 -179.593 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -112.84 -61.53 1.72 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.881 0.372 . . . . 0.0 111.069 -179.727 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.649 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 67.1 m -52.43 -43.02 64.62 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -178.024 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 83.12 -2.03 87.67 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.229 -0.986 . . . . 0.0 112.515 -179.504 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -99.77 -67.88 0.83 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.882 0.373 . . . . 0.0 111.143 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -155.02 145.33 21.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.237 -179.86 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -102.13 -152.15 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 25.0 p 172.91 -57.21 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.888 0.375 . . . . 0.0 110.701 179.702 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -86.96 154.97 20.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.948 -179.808 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 4.8 m -131.88 140.21 49.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.963 -179.695 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.887 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 36.2 t -48.75 120.76 4.02 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.15 179.937 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.06 -15.45 58.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.005 179.751 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.28 -31.47 22.4 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.768 -0.73 . . . . 0.0 113.231 -179.486 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.9 p -126.8 -7.68 6.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 117.301 0.55 . . . . 0.0 111.993 -179.741 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 56.17 26.41 10.25 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.694 0.283 . . . . 0.0 111.351 179.738 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 2.6 m -119.1 -63.35 1.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.839 0.352 . . . . 0.0 111.411 -179.657 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.887 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -49.1 139.88 10.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.401 -179.857 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.95 142.36 51.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.956 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -148.79 170.46 18.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.831 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 17.3 p -96.09 -15.61 22.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.438 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -165.57 -179.09 39.07 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.854 -179.8 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 55.0 p -68.23 -39.95 82.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.584 0.23 . . . . 0.0 111.427 -179.755 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -60.99 -46.62 90.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.75 0.31 . . . . 0.0 110.861 -179.686 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -61.59 -38.87 89.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.963 179.923 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -69.91 -34.23 73.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.424 179.502 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 3.0 m80 -71.79 -39.83 69.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.939 179.845 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -64.46 -42.63 95.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.607 179.878 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -86.57 -17.75 33.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.963 179.808 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.408 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.93 -45.17 67.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.739 -179.41 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.434 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 12.5 tp10 -56.95 -47.78 79.86 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.821 -179.583 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 695' ' ' HIS . 8.9 ptmt -71.3 -35.98 71.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.079 0.466 . . . . 0.0 110.457 178.154 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.665 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 20.9 t60 -59.09 -31.24 68.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.375 -178.631 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.434 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -61.79 -10.8 9.86 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.425 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -74.0 -40.86 62.65 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.709 0.29 . . . . 0.0 110.909 179.629 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.7 pp -106.82 -0.61 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.945 -179.569 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.332 -0.187 0 CA-C-O 120.83 0.348 . . . . 0.0 110.991 -179.825 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . 0.401 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 2.3 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.601 0.238 . . . . 0.0 110.711 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.64 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 19.0 t -68.37 129.19 39.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.942 0.401 . . . . 0.0 110.822 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.459 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.0 m0 -56.04 -18.48 9.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.735 -179.64 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -111.69 -62.26 1.58 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.873 0.368 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.64 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 68.1 m -52.97 -42.85 65.91 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -178.129 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.19 -0.78 88.44 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.227 -0.987 . . . . 0.0 112.534 -179.489 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.93 -71.72 0.67 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.867 0.365 . . . . 0.0 111.102 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -155.81 148.01 23.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.271 -179.816 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . 0.624 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -133.52 148.99 51.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.901 179.739 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.5 m -126.86 -30.46 2.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.594 -179.784 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -86.75 149.82 24.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.007 0.432 . . . . 0.0 111.225 -179.515 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 45.6 m -131.89 140.25 49.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.991 -179.8 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.882 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 37.9 t -48.68 121.6 4.75 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.176 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.22 -15.32 58.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.018 179.778 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.99 -31.39 20.58 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.727 -0.749 . . . . 0.0 113.25 -179.429 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 30.0 p -127.08 -7.71 5.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 117.335 0.567 . . . . 0.0 112.053 -179.689 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 56.48 26.04 10.42 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.698 0.285 . . . . 0.0 111.279 179.737 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 19.2 m -118.74 -62.78 1.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.278 -179.658 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.882 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -51.58 147.38 6.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.188 -179.9 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -134.67 142.88 46.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.987 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -149.55 166.29 29.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.708 179.908 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 24.9 p -95.62 -15.43 22.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.442 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -161.21 178.38 37.17 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.407 -0.902 . . . . 0.0 112.899 -179.736 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 10.7 m -68.18 -40.48 82.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.664 0.269 . . . . 0.0 111.195 -179.863 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -60.9 -46.43 90.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.696 -179.923 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.99 -39.68 86.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.844 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -69.32 -34.51 74.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.315 179.42 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -71.74 -39.31 70.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.855 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -42.27 95.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.609 179.879 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -87.58 -17.96 30.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.986 179.863 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.411 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.77 -45.29 67.06 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.655 -179.403 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.422 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 0.5 OUTLIER -56.17 -47.32 78.49 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.59 -179.823 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt -71.29 -36.1 71.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.137 0.494 . . . . 0.0 110.536 178.195 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.603 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 7.5 t60 -59.14 -31.19 68.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.481 -178.562 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.422 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -62.69 -10.72 13.55 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -179.625 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 -74.32 -35.76 63.66 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.73 0.3 . . . . 0.0 111.076 179.593 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.1 pp -115.37 -0.46 9.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.336 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.4 t . . . . . 0 C--N 1.33 -0.244 0 CA-C-O 120.902 0.382 . . . . 0.0 110.847 -179.948 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.736 0.303 . . . . 0.0 110.772 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.649 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 22.5 t -70.84 129.45 39.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.832 0.349 . . . . 0.0 110.854 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.46 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.8 m0 -55.99 -18.53 9.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.769 -179.602 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -111.62 -62.62 1.53 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.923 0.392 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.649 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 67.5 m -52.02 -43.12 63.54 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -178.231 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.88 -0.64 88.16 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.243 -0.979 . . . . 0.0 112.614 -179.549 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -98.17 -68.8 0.79 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.817 0.342 . . . . 0.0 111.165 -179.862 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.54 148.17 19.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.287 -179.812 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . 0.612 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -134.15 149.83 51.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.937 179.652 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.4 p -126.82 -30.45 2.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.513 -179.7 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -86.79 149.67 24.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.038 0.447 . . . . 0.0 111.291 -179.452 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 53.9 m -131.89 140.21 49.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.973 -179.752 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.872 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 39.6 t -48.61 121.32 4.43 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.154 179.894 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.49 -15.17 58.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.063 179.699 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.48 -31.97 20.52 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.771 -0.728 . . . . 0.0 113.233 -179.511 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.8 p -126.26 -7.44 6.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 117.383 0.591 . . . . 0.0 111.92 -179.66 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 56.4 25.9 10.1 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.785 0.326 . . . . 0.0 111.446 179.818 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 7.5 m -118.85 -63.22 1.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.842 0.353 . . . . 0.0 111.298 -179.631 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.872 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -50.89 148.18 4.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.306 -179.838 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -134.69 142.44 46.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.93 -179.877 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -149.53 165.94 30.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.682 179.877 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 25.7 p -95.42 -16.01 22.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.407 -179.925 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -161.75 178.65 37.54 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.329 -0.938 . . . . 0.0 112.898 -179.721 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 96.5 p -68.14 -40.37 82.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.701 0.286 . . . . 0.0 111.228 -179.806 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -60.86 -46.56 90.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.874 0.369 . . . . 0.0 110.738 -179.84 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.8 -40.7 93.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.767 179.733 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -69.34 -34.53 74.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.375 179.489 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -71.75 -38.56 70.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.909 179.811 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 3.0 mmtm -64.67 -43.39 93.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.641 179.816 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -86.91 -17.68 32.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.065 179.834 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.408 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.7 -45.03 66.7 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.582 -179.408 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.428 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 12.8 tt0 -56.12 -47.42 78.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.874 0.369 . . . . 0.0 110.512 -179.846 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.13 -36.11 71.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.475 178.197 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.541 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 7.4 t60 -59.14 -31.08 68.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.473 -178.59 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.428 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -62.41 -10.77 12.5 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -179.456 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -74.15 -40.8 62.35 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.73 0.3 . . . . 0.0 111.052 179.64 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.4 pt -110.29 -0.47 9.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.464 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 14.1 t . . . . . 0 C--N 1.331 -0.208 0 CA-C-O 120.888 0.375 . . . . 0.0 111.047 -179.716 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 20.4 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.644 0.259 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.651 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 21.5 t -68.2 129.14 39.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.958 0.408 . . . . 0.0 110.757 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.458 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.3 m0 -55.47 -18.27 6.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.787 -179.6 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -112.45 -62.16 1.62 Allowed 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 120.787 0.327 . . . . 0.0 110.811 -179.914 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.651 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 66.3 m -52.66 -43.51 65.57 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -177.98 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.7 -0.78 89.16 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.275 -0.964 . . . . 0.0 112.503 -179.579 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.8 -69.04 0.77 Allowed 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.826 0.346 . . . . 0.0 111.185 -179.853 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -157.92 147.68 20.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.267 -179.786 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . 0.65 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -131.81 147.91 52.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.885 179.736 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 67.5 m -125.72 -32.08 2.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.531 -179.801 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.86 149.59 24.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.05 0.453 . . . . 0.0 111.188 -179.469 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 15.2 m -131.93 140.32 48.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.941 -179.763 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.894 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 32.9 t -48.7 121.32 4.48 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.209 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.22 -15.51 58.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.061 179.673 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.7 -31.4 21.38 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.817 -0.706 . . . . 0.0 113.239 -179.423 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 29.4 p -126.62 -7.7 6.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 117.236 0.518 . . . . 0.0 112.053 -179.733 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 56.14 25.94 9.65 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.668 0.27 . . . . 0.0 111.339 179.768 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 43.1 m -118.79 -62.96 1.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.872 0.367 . . . . 0.0 111.391 -179.718 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.894 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -50.32 145.49 6.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.349 -179.868 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 8.8 mmt180 -131.37 141.05 49.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . 0.426 ' CE1' ' HB2' ' A' ' 691' ' ' ASP . 90.7 m-85 -149.46 165.38 32.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.74 179.848 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 25.0 p -94.87 -15.94 23.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.475 -179.893 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -162.74 179.47 37.99 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.384 -0.912 . . . . 0.0 112.915 -179.636 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.22 -39.73 82.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.662 0.268 . . . . 0.0 111.245 -179.865 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -60.82 -46.63 89.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 110.698 -179.829 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -61.45 -41.04 96.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 179.802 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . 0.421 ' HG3' ' CD2' ' A' ' 682' ' ' TYR . 40.1 tt0 -68.56 -35.28 77.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.352 179.486 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -71.74 -39.28 70.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.909 179.851 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -43.14 95.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.0 0.428 . . . . 0.0 110.554 179.846 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . 0.426 ' HB2' ' CE1' ' A' ' 682' ' ' TYR . 4.7 m-20 -86.84 -17.7 32.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.975 179.849 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.41 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.69 -45.22 66.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.626 -179.361 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.414 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 22.3 tt0 -56.17 -47.47 78.2 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.548 -179.81 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -71.21 -36.07 71.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.132 0.492 . . . . 0.0 110.55 178.226 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 9.0 t60 -59.34 -31.15 68.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.348 -178.513 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.414 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -63.0 -11.55 19.7 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 -179.52 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -74.32 -28.3 61.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.724 0.297 . . . . 0.0 111.172 179.472 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.1 pp -122.06 -0.45 7.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.401 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.33 -0.242 0 CA-C-O 120.865 0.364 . . . . 0.0 110.969 -179.897 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.86 0.362 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.0 165.9 24.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.11 98.75 11.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 61.83 62.6 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 8.3 t -129.2 158.83 37.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.81 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.657 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 19.2 t -70.58 129.21 38.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 110.841 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.462 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 13.0 m0 -55.67 -19.36 10.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.726 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -111.39 -62.83 1.49 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.905 0.383 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.618 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 69.6 m -52.58 -42.78 64.81 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -178.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.74 -0.89 87.65 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.2 -1.0 . . . . 0.0 112.534 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.18 -67.63 0.84 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.83 0.348 . . . . 0.0 111.151 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -159.99 147.89 16.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.233 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . 0.657 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -132.89 148.55 52.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.003 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 31.8 m -126.28 -30.65 2.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.603 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -86.65 150.19 24.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.027 0.441 . . . . 0.0 111.168 -179.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 87.8 m -129.82 140.16 51.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.052 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.853 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 40.2 t -49.92 122.03 6.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.087 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.07 -15.72 58.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.0 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.68 -32.47 18.59 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.771 -0.728 . . . . 0.0 113.252 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 30.9 p -126.04 -7.41 6.59 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 117.401 0.601 . . . . 0.0 112.057 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 56.03 25.62 9.06 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.727 0.299 . . . . 0.0 111.343 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 55.7 m -118.5 -63.11 1.45 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.826 0.346 . . . . 0.0 111.257 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.853 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -50.33 143.14 9.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.318 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.39 142.64 50.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.8 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . 0.445 ' CD2' ' HG2' ' A' ' 688' ' ' GLN . 92.3 m-85 -149.45 170.04 19.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.937 0.399 . . . . 0.0 110.791 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 25.3 p -99.86 -15.67 18.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.601 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -159.08 175.59 36.01 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.304 -0.95 . . . . 0.0 113.093 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.1 -39.74 82.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.73 0.3 . . . . 0.0 111.154 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -60.9 -46.34 91.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.867 0.365 . . . . 0.0 110.589 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.9 m -57.73 -36.57 72.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.747 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . 0.445 ' HG2' ' CD2' ' A' ' 682' ' ' TYR . 34.5 mt-30 -68.01 -36.52 80.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.433 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 41.9 m170 -71.75 -40.11 69.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.016 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -63.34 -44.16 95.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.566 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.32 -16.75 36.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.088 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.44 ' CZ3' ' HB3' ' A' ' 696' ' ' HIS . 2.9 t-105 -52.71 -44.95 66.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.552 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.495 ' O ' ' CD2' ' A' ' 696' ' ' HIS . 2.4 tp10 -56.14 -47.25 78.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.066 0.46 . . . . 0.0 110.476 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.09 -35.93 72.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.383 178.163 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 3.7 t60 -59.55 -31.8 69.75 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.288 0.848 . . . . 0.0 113.288 -178.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 693' ' ' GLU . 0.5 OUTLIER -67.77 -9.48 44.44 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.74 -179.189 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 45.0 m-70 -74.55 -30.18 61.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.872 0.367 . . . . 0.0 110.58 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.1 pp -123.46 -0.7 6.33 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.03 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 7.8 t -103.25 146.59 28.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.892 0.377 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 96.71 25.87 11.31 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.452 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -131.21 30.27 4.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.764 0.316 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 29.3 p -118.71 -43.26 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 7.2 tp -103.18 -37.64 7.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 59.58 80.18 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.964 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -119.55 -41.63 2.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.065 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -60.05 -36.82 78.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.774 0.321 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 4.3 m 60.67 33.18 20.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.97 160.92 31.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -124.81 61.06 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.949 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 3.6 m -116.78 138.63 51.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.757 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.697 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 16.3 t -63.54 129.05 38.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.903 0.383 . . . . 0.0 110.752 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.449 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 13.2 m0 -56.64 -18.44 12.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.748 -179.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -111.08 -62.46 1.54 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.859 0.361 . . . . 0.0 110.759 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.629 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 68.8 m -52.96 -44.69 67.31 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -178.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 86.59 -1.53 87.19 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.306 -0.949 . . . . 0.0 112.686 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -98.05 -75.29 0.55 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.93 0.395 . . . . 0.0 111.093 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.98 148.12 28.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.367 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . 0.697 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -130.34 146.32 51.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.948 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -123.75 -33.74 3.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.438 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -86.87 151.71 23.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.97 0.414 . . . . 0.0 111.159 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 21.5 m -131.89 140.22 49.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.967 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.88 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 37.7 t -48.68 121.51 4.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.177 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 1.9 p -78.14 -15.38 58.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.064 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.4 -32.43 19.58 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.258 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 31.6 p -125.74 -7.21 6.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 117.319 0.559 . . . . 0.0 112.029 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 56.15 25.59 9.25 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.769 0.319 . . . . 0.0 111.38 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 3.2 m -118.62 -62.96 1.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.286 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.88 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -50.76 148.58 3.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.327 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -134.41 144.21 48.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -149.53 166.05 30.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.73 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 26.6 p -95.52 -15.38 22.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.391 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.23 177.23 36.77 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.827 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 1.4 m -68.12 -39.94 82.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.742 0.306 . . . . 0.0 111.177 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -60.96 -46.45 90.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.901 0.382 . . . . 0.0 110.716 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -58.28 -37.4 74.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -67.86 -35.41 78.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.325 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -71.88 -39.08 69.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.941 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -64.15 -44.72 91.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.514 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.08 -17.45 37.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.006 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.418 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.7 t-105 -52.83 -45.83 67.48 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.683 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.404 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 0.0 OUTLIER -56.04 -47.49 77.76 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.636 -179.713 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -71.21 -36.07 71.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.084 0.469 . . . . 0.0 110.546 178.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.527 ' CE1' HD11 ' A' ' 698' ' ' ILE . 4.1 t60 -59.01 -31.27 68.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.495 -178.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.404 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -63.49 -11.2 21.95 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -179.493 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 -74.5 -27.85 60.73 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.656 0.265 . . . . 0.0 111.104 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . 0.534 HD12 ' C ' ' A' ' 698' ' ' ILE . 2.8 pp -126.05 0.4 4.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -179.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.8 t -102.25 148.4 25.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.848 0.356 . . . . 0.0 110.951 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . -95.83 26.83 18.61 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.667 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -112.28 98.58 7.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.884 0.373 . . . . 0.0 110.799 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.11 161.59 41.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.947 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . 0.471 HD23 ' N ' ' A' ' 704' ' ' GLN . 1.3 tt -93.0 155.67 17.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . 0.471 ' N ' HD23 ' A' ' 703' ' ' LEU . 6.9 mt-30 -87.88 87.26 7.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -84.36 138.09 33.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.42 -47.01 2.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.842 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.966 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.837 0.351 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.1 m -62.6 173.48 1.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 3.8 m -150.63 176.65 10.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -95.0 48.71 1.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.3 m -99.26 152.98 19.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.845 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.649 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 20.0 t -71.84 129.18 37.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.891 0.377 . . . . 0.0 110.892 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.447 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.1 m0 -55.95 -19.1 10.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.735 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -110.93 -62.38 1.55 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.954 0.407 . . . . 0.0 110.913 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.649 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 67.2 m -52.24 -43.73 64.47 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -178.184 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.56 -0.36 89.31 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.281 -0.961 . . . . 0.0 112.651 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -98.99 -71.58 0.69 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.868 0.366 . . . . 0.0 111.084 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.19 146.85 23.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.367 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . 0.609 ' HB2' ' CA ' ' A' ' 663' ' ' CYS . . . -134.69 150.5 50.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.036 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 30.1 p -127.19 -29.24 2.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.572 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -86.83 150.04 24.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.098 0.475 . . . . 0.0 111.144 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 26.4 m -131.94 140.27 48.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.974 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.88 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 43.4 t -48.77 121.34 4.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.159 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.48 -15.4 58.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.048 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.41 -31.94 20.83 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.688 -0.768 . . . . 0.0 113.194 -179.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 27.3 p -126.39 -7.16 6.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 117.332 0.566 . . . . 0.0 112.022 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 56.27 25.87 9.81 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.726 0.298 . . . . 0.0 111.445 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 59.8 m -118.92 -62.59 1.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.777 0.322 . . . . 0.0 111.312 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.88 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -50.92 149.37 3.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.33 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 2.4 mmt85 -134.4 142.18 47.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.87 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -149.52 165.6 31.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.963 0.411 . . . . 0.0 110.695 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 27.4 p -96.61 -15.83 21.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.484 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.59 177.67 36.91 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.441 -0.885 . . . . 0.0 112.879 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 2.8 m -68.16 -40.24 82.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.686 0.279 . . . . 0.0 111.167 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -60.9 -46.44 90.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.847 0.356 . . . . 0.0 110.699 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.68 -39.47 84.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -69.15 -34.23 74.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.246 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 52.5 m170 -71.83 -38.82 70.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.879 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm -65.83 -40.88 92.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.639 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -88.26 -18.44 28.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.011 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.408 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.76 -45.18 66.95 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.564 -179.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.485 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 1.3 tp10 -56.19 -47.43 78.36 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.512 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -70.96 -35.97 72.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.076 0.465 . . . . 0.0 110.175 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.529 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 4.3 t60 -59.35 -31.38 69.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.509 -178.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.485 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 0.7 OUTLIER -65.7 -10.72 39.02 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -179.32 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -74.53 -30.21 61.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.818 0.342 . . . . 0.0 110.731 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.3 pt -122.12 -0.69 7.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.978 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 6.8 t -106.21 161.32 14.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.842 0.353 . . . . 0.0 111.095 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 124.29 -63.35 0.56 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.451 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -173.76 -41.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.806 0.336 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 16.8 p -119.6 152.9 36.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . 0.452 ' HA ' HD13 ' A' ' 703' ' ' LEU . 3.5 mm? -83.12 -179.2 7.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.52 110.77 20.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.86 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -107.0 -38.12 6.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.192 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.84 90.45 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.945 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 -179.936 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.816 0.341 . . . . 0.0 110.779 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.6 m -94.67 179.52 5.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 75.4 m -89.33 105.57 17.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -126.71 47.95 2.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.38 142.99 36.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.837 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.653 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 23.6 t -67.59 129.13 38.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.884 0.373 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.455 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 13.9 m0 -55.49 -19.7 10.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.789 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -110.56 -62.01 1.59 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.881 0.372 . . . . 0.0 110.927 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.653 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 66.7 m -52.65 -42.09 64.38 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -178.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.44 -0.73 88.83 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.235 -0.983 . . . . 0.0 112.619 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -103.02 -70.03 0.77 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.845 0.355 . . . . 0.0 111.198 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.4 143.16 24.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.296 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . 0.423 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -101.9 -151.32 0.42 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.843 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 9.6 t 172.45 -57.5 0.01 OUTLIER 'General case' 0 N--CA 1.461 0.11 0 CA-C-O 120.835 0.35 . . . . 0.0 110.844 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -86.89 155.95 20.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.927 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 26.8 m -131.5 140.22 49.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.085 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.904 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 18.5 t -48.88 121.18 4.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.193 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 10.5 t -77.86 -15.71 58.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.059 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.62 -30.89 22.99 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.715 -0.755 . . . . 0.0 113.224 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 31.7 p -126.65 -8.08 6.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 117.219 0.51 . . . . 0.0 112.02 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 55.86 25.92 9.1 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.66 0.267 . . . . 0.0 111.389 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 10.8 m -119.25 -62.85 1.46 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.844 0.354 . . . . 0.0 111.415 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.904 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -48.76 138.63 10.79 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.488 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -124.66 143.09 50.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.001 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . 0.432 ' CE1' ' HB2' ' A' ' 691' ' ' ASP . 95.3 m-85 -149.46 170.06 19.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.779 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 17.0 p -98.25 -15.94 19.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.352 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -162.92 179.31 38.25 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.43 -0.891 . . . . 0.0 112.807 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 1.1 m -68.23 -41.05 81.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.626 0.25 . . . . 0.0 111.391 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -60.97 -46.52 90.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.849 0.357 . . . . 0.0 110.778 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.53 -37.67 79.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.835 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . 0.411 ' HG3' ' CE2' ' A' ' 682' ' ' TYR . 8.9 tt0 -69.93 -34.58 73.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.445 179.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.68 -40.05 69.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -63.73 -44.28 94.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.7 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . 0.432 ' HB2' ' CE1' ' A' ' 682' ' ' TYR . 1.2 m-20 -85.75 -16.99 37.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.085 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.408 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 3.0 t-105 -52.89 -44.75 67.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.729 -179.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.419 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 1.1 tt0 -57.7 -47.84 81.24 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.984 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -71.53 -35.99 70.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.053 0.454 . . . . 0.0 110.499 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.689 ' CE1' HD11 ' A' ' 698' ' ' ILE . 22.2 t60 -59.17 -31.17 68.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.343 -178.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.419 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -62.52 -10.94 13.53 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -179.486 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -74.28 -25.84 59.84 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.646 0.26 . . . . 0.0 111.116 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . 0.689 HD11 ' CE1' ' A' ' 695' ' ' HIS . 2.7 pp -122.68 -0.11 6.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 3.1 t -99.8 153.92 18.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.818 0.342 . . . . 0.0 110.916 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . -88.08 52.25 4.1 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.609 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -93.94 81.99 4.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.842 0.353 . . . . 0.0 110.798 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.58 160.24 5.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.961 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 9.8 tt -83.5 -49.05 9.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.63 122.43 27.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.923 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -109.24 -167.55 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.57 36.78 1.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.898 0.38 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 37.7 t -137.81 92.98 2.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 21.9 m -161.42 106.22 1.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -107.12 47.61 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -102.82 147.22 27.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.81 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.635 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 18.9 t -69.72 129.11 38.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.447 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.4 m0 -55.82 -18.9 9.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.789 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -111.36 -62.51 1.54 Allowed 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.879 0.371 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.635 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 68.4 m -52.8 -42.92 65.53 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -178.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.58 -0.23 88.31 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.239 -0.981 . . . . 0.0 112.604 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.43 -70.73 0.71 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.892 0.377 . . . . 0.0 111.107 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -156.89 147.23 21.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.212 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . 0.601 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -132.84 148.88 52.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.036 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 66.2 m -126.24 -30.88 2.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.561 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -86.73 150.37 24.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.02 0.438 . . . . 0.0 111.249 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 21.3 m -132.0 140.35 48.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.885 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.851 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 45.3 t -48.6 121.43 4.54 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.196 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 16.4 m -78.33 -15.37 58.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.049 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.5 -31.76 21.03 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.833 -0.699 . . . . 0.0 113.262 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 27.9 p -126.69 -7.33 6.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 117.372 0.586 . . . . 0.0 112.029 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 4.1 m120 56.33 25.89 9.96 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.704 0.287 . . . . 0.0 111.368 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 3.0 m -118.67 -63.25 1.43 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.339 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.851 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -51.15 148.42 4.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.234 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -134.65 143.0 47.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.943 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -149.5 166.93 27.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.983 0.421 . . . . 0.0 110.686 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 27.7 p -96.78 -15.62 21.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.331 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.41 177.47 36.83 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.371 -0.918 . . . . 0.0 112.859 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.14 -40.47 82.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.726 0.298 . . . . 0.0 111.285 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 38.0 p90 -60.85 -46.45 90.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.725 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.86 -37.5 76.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.809 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -72.21 -31.81 66.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.476 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -71.91 -41.39 67.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -34.38 77.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.828 0.346 . . . . 0.0 110.77 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.48 -20.48 21.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.906 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.408 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.79 -44.61 66.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.611 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.48 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 2.7 mm-40 -56.47 -47.46 79.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.009 0.433 . . . . 0.0 110.472 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt -70.89 -36.09 72.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.107 0.479 . . . . 0.0 110.248 178.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.523 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 5.0 t60 -59.42 -31.37 69.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.526 -178.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.48 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 0.7 OUTLIER -65.54 -10.24 33.24 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.405 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -74.53 -30.12 61.65 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.797 0.332 . . . . 0.0 110.857 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.2 pp -122.13 -0.59 7.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.277 -0.42 . . . . 0.0 112.085 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.6 t -104.75 158.59 16.41 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.821 0.343 . . . . 0.0 111.069 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 128.03 -28.34 4.38 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.531 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -59.61 100.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.836 0.35 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . 0.42 ' O ' HG23 ' A' ' 702' ' ' THR . 3.1 t -115.46 84.58 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 2.0 tp -147.45 91.93 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.58 163.43 18.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.808 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -118.13 99.03 6.61 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.095 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -157.94 -45.91 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.823 179.947 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.874 0.369 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.57 171.26 20.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 6.0 t -161.99 -44.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -97.48 47.24 1.02 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.935 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 19.0 m -93.82 146.78 23.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.779 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.65 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 23.4 t -68.82 129.17 39.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.843 0.354 . . . . 0.0 110.92 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.455 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.6 m0 -55.01 -19.62 7.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.835 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -111.32 -61.71 1.66 Allowed 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.835 0.35 . . . . 0.0 111.061 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.65 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 67.0 m -52.73 -42.67 65.1 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -178.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.12 -0.68 88.44 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.209 -0.996 . . . . 0.0 112.6 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 3.6 ttm-85 -102.29 -69.14 0.8 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.859 0.361 . . . . 0.0 111.077 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -152.13 143.17 23.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.235 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -101.98 -151.59 0.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.1 m 172.42 -57.26 0.01 OUTLIER 'General case' 0 C--N 1.334 -0.071 0 CA-C-O 120.834 0.349 . . . . 0.0 110.841 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -86.96 154.71 20.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.97 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 59.9 m -131.42 140.22 49.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.976 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.866 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 48.6 t -49.11 120.88 4.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 65.9 p -78.23 -15.21 59.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.13 -31.74 22.18 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.767 -0.73 . . . . 0.0 113.243 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.5 p -126.54 -7.51 6.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 117.321 0.561 . . . . 0.0 111.973 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 3.1 m120 55.9 26.3 9.6 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.686 0.279 . . . . 0.0 111.484 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 21.6 m -119.13 -63.1 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.289 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.866 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -49.26 139.99 10.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.327 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -128.59 140.87 51.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.018 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -147.09 171.18 15.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.695 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 17.5 p -97.92 -15.77 20.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.365 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -162.63 179.33 37.98 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.489 -0.862 . . . . 0.0 112.862 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 10.7 t -68.22 -41.37 81.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.693 0.282 . . . . 0.0 111.343 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -60.85 -46.53 90.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.761 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.7 -38.42 81.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.825 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -69.77 -34.44 73.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.385 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -71.77 -39.4 69.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -41.81 95.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.577 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -87.54 -17.9 30.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.009 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.406 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.86 -45.61 67.48 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.612 -179.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.482 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 3.0 mt-10 -56.09 -47.43 78.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.972 0.415 . . . . 0.0 110.569 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -70.81 -35.85 72.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.195 0.522 . . . . 0.0 110.156 178.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.654 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 9.5 t60 -59.31 -31.31 69.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.534 -178.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.482 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 0.7 OUTLIER -65.34 -10.4 32.59 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -179.374 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 44.3 m-70 -74.36 -29.49 61.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.778 0.323 . . . . 0.0 110.694 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.1 pt -120.17 -0.35 7.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.948 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.6 t -102.89 160.27 14.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.907 0.384 . . . . 0.0 111.048 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . -123.6 63.89 0.54 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.502 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -98.77 30.61 3.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.358 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . 0.537 HG23 HD23 ' A' ' 703' ' ' LEU . 3.2 t -87.49 -31.58 19.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . 0.537 HD23 HG23 ' A' ' 702' ' ' THR . 0.4 OUTLIER -103.35 90.71 3.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -136.88 31.56 2.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -101.66 31.14 3.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.153 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -137.8 -67.94 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.977 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.8 0.333 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.98 151.07 41.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 2.2 t -118.45 89.18 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.946 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 62.14 47.02 5.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 9.3 m -97.13 153.77 17.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.808 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.656 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 21.4 t -71.44 128.95 37.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.883 0.373 . . . . 0.0 110.778 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.452 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.0 m0 -55.64 -19.33 10.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.795 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -110.71 -62.19 1.57 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.852 0.358 . . . . 0.0 110.95 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.641 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 67.4 m -52.98 -42.89 65.98 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -178.018 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.13 -0.9 88.22 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.252 -0.975 . . . . 0.0 112.483 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 4.7 ttm-85 -98.77 -68.59 0.8 Allowed 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.781 0.324 . . . . 0.0 111.151 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.25 147.85 19.66 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.297 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . 0.656 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -134.35 149.92 50.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.89 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 4.6 p -126.76 -31.27 2.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.657 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -86.81 149.67 24.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.013 0.435 . . . . 0.0 111.268 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 7.0 m -131.93 140.38 49.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.016 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.888 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 27.1 t -48.42 121.5 4.51 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.142 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.18 -15.46 58.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.069 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.38 -31.26 22.69 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 120.722 -0.751 . . . . 0.0 113.185 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 31.2 p -126.16 -7.67 6.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 117.216 0.508 . . . . 0.0 111.927 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 55.68 25.32 8.05 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.744 0.307 . . . . 0.0 111.358 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 1.5 m -118.25 -63.4 1.42 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.205 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.888 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -49.78 146.88 4.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.12 141.96 48.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.006 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -149.45 166.56 28.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.679 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 25.9 p -96.45 -15.49 21.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.546 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.49 177.76 36.79 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.925 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 40.3 t -68.19 -40.5 82.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.705 0.288 . . . . 0.0 111.153 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -60.96 -46.49 90.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.667 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.63 -39.72 85.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.742 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -69.42 -34.28 74.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.327 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -71.75 -39.89 69.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.92 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -64.13 -42.68 96.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.935 0.398 . . . . 0.0 110.599 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.97 -17.97 31.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.029 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.422 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -53.03 -46.01 68.26 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.482 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 0.1 OUTLIER -56.84 -48.07 78.9 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.89 -179.416 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.44 -36.01 71.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.188 0.518 . . . . 0.0 110.335 178.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.638 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 29.5 t60 -59.57 -31.36 69.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.592 -178.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.482 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 0.7 OUTLIER -64.33 -9.34 17.13 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.298 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -74.35 -26.57 60.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.679 0.275 . . . . 0.0 110.939 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.2 pp -122.12 -0.29 6.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 2.8 t -96.78 143.7 27.45 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.858 0.361 . . . . 0.0 110.846 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . -88.12 57.13 4.3 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.727 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -81.01 159.92 24.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.771 0.32 . . . . 0.0 110.838 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 44.5 m -80.26 128.06 33.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.786 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -159.31 -51.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -139.31 32.98 2.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -101.51 -178.12 3.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.067 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 60.77 163.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.823 -179.939 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 6.7 t0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.869 0.366 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.4 m 60.13 -176.92 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 24.4 m -113.91 79.53 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -127.14 47.72 2.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 48.3 m -124.91 137.67 54.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.741 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.637 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 20.4 t -69.21 129.16 39.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.951 0.405 . . . . 0.0 110.907 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.447 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.2 m0 -55.48 -18.86 7.95 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.817 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -111.83 -62.05 1.62 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.848 0.356 . . . . 0.0 110.972 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.637 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 68.2 m -52.92 -42.6 65.55 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -178.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.72 -0.42 88.23 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.301 -0.952 . . . . 0.0 112.578 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.29 -69.98 0.76 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.891 0.377 . . . . 0.0 111.132 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -152.29 143.37 23.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.17 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -103.91 -149.53 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 4.6 p 169.35 -53.92 0.01 OUTLIER 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.836 0.35 . . . . 0.0 110.725 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -86.93 154.91 20.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.985 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 46.8 m -131.92 140.22 48.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.988 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.864 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 43.9 t -49.0 121.21 4.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.2 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.1 -15.49 58.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 179.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.41 -31.81 21.16 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.806 -0.711 . . . . 0.0 113.305 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 26.9 p -126.55 -7.53 6.29 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 117.269 0.535 . . . . 0.0 112.009 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 6.4 m120 56.17 26.15 9.94 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.717 0.294 . . . . 0.0 111.419 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 2.2 m -119.1 -63.08 1.44 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.882 0.372 . . . . 0.0 111.404 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.864 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -49.74 143.93 6.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.337 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -131.21 143.52 50.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . 0.405 ' CE2' ' HG3' ' A' ' 688' ' ' GLN . 27.6 m-85 -149.45 168.42 23.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.742 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 18.8 p -95.7 -15.72 22.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.459 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -163.24 180.0 38.06 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.487 -0.864 . . . . 0.0 112.849 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.3 -40.42 81.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.653 0.263 . . . . 0.0 111.278 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -60.94 -46.57 90.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.822 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.13 -39.15 85.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.835 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . 0.405 ' HG3' ' CE2' ' A' ' 682' ' ' TYR . 45.6 tt0 -68.32 -35.5 77.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.383 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -71.72 -39.32 70.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.903 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -65.62 -41.25 92.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.571 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -87.29 -18.3 30.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.935 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.407 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.83 -45.44 67.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.684 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.475 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 42.3 mt-10 -56.14 -47.51 78.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.947 0.403 . . . . 0.0 110.538 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -70.84 -35.95 72.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.164 0.507 . . . . 0.0 110.132 178.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.613 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 5.6 t60 -59.28 -31.32 69.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.555 -178.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.475 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 0.7 OUTLIER -65.2 -10.21 29.68 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -179.407 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 42.4 m-70 -74.4 -30.2 61.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.858 0.361 . . . . 0.0 110.763 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.1 pt -121.43 -0.25 7.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.908 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 11.9 t -108.84 159.69 16.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.785 0.326 . . . . 0.0 111.12 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 127.44 -60.02 0.67 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -117.77 98.25 6.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.813 0.34 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.69 151.11 24.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 40.8 mt -87.97 100.44 12.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -126.35 177.35 6.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.822 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . 59.71 30.66 20.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 59.8 104.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.949 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.845 0.355 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 31.1 p -132.19 96.5 3.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 7.5 t -74.03 105.9 5.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.82 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -90.86 51.1 1.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.4 m -102.62 154.07 19.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.651 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 34.1 t -69.9 129.76 40.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.885 0.374 . . . . 0.0 110.843 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.463 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.5 m0 -54.72 -19.2 5.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.957 -179.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -112.62 -61.79 1.68 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.917 0.389 . . . . 0.0 111.051 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.651 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 67.5 m -52.32 -43.2 64.41 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -177.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 83.37 -2.12 87.65 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.194 -1.003 . . . . 0.0 112.542 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.28 -69.5 0.76 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.839 0.352 . . . . 0.0 111.138 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -153.52 144.69 22.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -102.33 -151.08 0.42 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.796 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 9.8 p 170.47 -55.57 0.01 OUTLIER 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.924 0.393 . . . . 0.0 110.789 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -86.91 152.97 21.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.005 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 3.9 m -130.51 140.23 50.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.155 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.914 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 16.0 t -48.76 120.88 4.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.149 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.11 -15.57 58.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.01 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -86.27 -30.49 22.24 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.766 -0.73 . . . . 0.0 113.233 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.2 p -127.16 -8.37 5.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 117.234 0.517 . . . . 0.0 112.037 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 16.8 m120 56.3 25.94 9.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.758 0.313 . . . . 0.0 111.451 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 59.4 m -119.0 -63.85 1.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.36 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.914 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -48.65 138.56 10.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.364 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.37 140.45 52.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . 0.422 ' CE1' ' HB2' ' A' ' 691' ' ' ASP . 81.4 m-85 -147.15 170.59 16.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.002 0.429 . . . . 0.0 110.772 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 16.6 p -96.64 -15.73 21.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.523 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -165.33 -179.03 38.91 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.453 -0.88 . . . . 0.0 112.9 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.1 -40.31 82.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.658 0.266 . . . . 0.0 111.447 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -61.0 -46.59 90.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.792 0.33 . . . . 0.0 110.77 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -61.7 -39.3 90.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.826 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -68.39 -35.47 77.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.325 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.8 -39.62 69.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -63.78 -43.89 95.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.552 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . 0.422 ' HB2' ' CE1' ' A' ' 682' ' ' TYR . 3.7 m-20 -85.91 -17.3 35.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.98 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.409 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.91 -45.41 67.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.706 -179.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.43 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 1.6 tm-20 -57.28 -47.82 80.47 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.651 -0.419 . . . . 0.0 111.014 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.55 -35.94 70.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.165 0.507 . . . . 0.0 110.495 178.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.67 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 20.0 t60 -59.11 -31.12 68.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.33 -178.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.43 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -62.28 -10.56 11.34 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -179.524 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -74.19 -29.99 62.0 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.733 0.302 . . . . 0.0 110.973 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.4 pt -119.96 -0.19 7.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 39.1 t -114.13 157.92 21.97 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.868 0.366 . . . . 0.0 110.967 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 103.36 17.45 17.64 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.605 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -102.2 34.81 2.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.774 0.321 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 24.7 m -141.31 -69.37 0.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 67.64 -69.89 0.13 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -153.46 134.12 13.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -105.79 42.91 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.118 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -157.02 -67.23 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.957 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 4.2 t70 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.797 0.332 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 44.7 m -94.26 122.86 37.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 78.4 p -88.49 79.41 7.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.053 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -136.79 47.24 2.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 2.3 m -107.36 165.02 11.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.826 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.595 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 20.5 t -71.71 129.31 38.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.866 0.365 . . . . 0.0 110.951 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.448 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.0 m0 -55.4 -19.94 10.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.794 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -111.25 -62.3 1.57 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.917 0.389 . . . . 0.0 110.955 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.595 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 84.6 m -53.47 -42.41 67.18 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -177.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.53 -1.83 86.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.189 -1.005 . . . . 0.0 112.7 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.36 -69.78 0.75 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.842 0.353 . . . . 0.0 111.064 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -153.08 143.93 22.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.094 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -101.96 -151.24 0.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 8.5 t 171.62 -56.69 0.01 OUTLIER 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.891 0.377 . . . . 0.0 110.816 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -86.97 155.03 20.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.932 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 38.2 m -131.22 140.34 49.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.089 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.906 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 40.6 t -49.08 121.53 4.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.209 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.47 -15.19 58.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.6 -31.24 22.1 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.753 -0.736 . . . . 0.0 113.19 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 30.1 p -126.82 -7.57 6.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 117.28 0.54 . . . . 0.0 111.978 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 55.92 25.94 9.22 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.587 0.232 . . . . 0.0 111.426 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 5.9 m -118.8 -62.83 1.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.278 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.906 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -48.56 140.73 7.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.377 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -129.0 142.01 51.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . 0.447 ' CE1' ' HB2' ' A' ' 691' ' ' ASP . 90.9 m-85 -149.41 171.82 15.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.96 0.41 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 17.7 p -99.05 -16.12 18.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.556 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.82 169.75 36.56 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.31 -0.948 . . . . 0.0 112.936 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 79.4 p -61.26 -39.82 91.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.682 0.277 . . . . 0.0 111.257 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -60.92 -46.51 90.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.875 0.369 . . . . 0.0 110.596 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -57.89 -36.61 72.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.766 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . 0.431 ' HG2' ' CD2' ' A' ' 682' ' ' TYR . 4.3 mt-30 -67.23 -36.87 82.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.496 179.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -71.72 -39.93 69.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.228 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -46.19 90.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.926 0.393 . . . . 0.0 110.698 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . 0.447 ' HB2' ' CE1' ' A' ' 682' ' ' TYR . 12.1 m-20 -85.92 -16.1 39.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.251 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.409 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.74 -45.51 67.05 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.629 -179.262 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.478 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 4.4 mp0 -56.17 -47.42 78.29 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.661 -0.415 . . . . 0.0 110.508 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 11.4 mtpt -71.03 -35.96 72.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.058 0.456 . . . . 0.0 110.27 178.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.608 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 8.2 t60 -59.24 -31.39 69.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.557 -178.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.478 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 0.7 OUTLIER -65.04 -10.15 27.71 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.32 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 -74.46 -28.68 61.14 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.709 0.29 . . . . 0.0 110.882 179.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.2 pp -122.14 -0.34 6.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.6 t -101.21 145.96 28.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.846 0.355 . . . . 0.0 110.952 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 107.27 -28.37 12.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.469 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -114.36 112.45 23.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.862 0.363 . . . . 0.0 110.792 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 2.6 t -135.41 101.72 4.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 3.6 pp -66.23 -179.95 0.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -127.92 88.27 2.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -165.58 68.03 0.13 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.141 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -156.94 81.75 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.852 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.759 0.314 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.2 t -79.56 -34.84 40.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 73.1 p -110.95 152.87 26.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 60.77 48.11 7.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 6.7 m -121.45 144.25 48.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.803 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.661 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 24.9 t -70.49 129.14 38.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.876 0.369 . . . . 0.0 110.925 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.458 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.1 m0 -55.13 -19.37 7.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.867 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -111.52 -61.64 1.67 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.865 0.364 . . . . 0.0 111.056 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.661 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 64.4 m -52.24 -44.97 65.14 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -177.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 86.48 -2.44 87.4 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 120.196 -1.002 . . . . 0.0 112.631 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -100.73 -75.47 0.58 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.863 0.363 . . . . 0.0 111.028 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 7.6 tptt -146.09 144.77 30.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.405 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -102.07 -151.79 0.43 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.884 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 18.9 p 172.69 -56.7 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 120.937 0.398 . . . . 0.0 110.756 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -87.0 155.02 20.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.02 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 63.4 m -131.94 140.24 48.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.873 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.899 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 20.1 t -49.32 120.96 4.45 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.166 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.05 -15.54 58.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.983 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -86.03 -30.53 22.76 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.257 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 29.7 p -127.32 -8.36 5.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 117.3 0.55 . . . . 0.0 111.996 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 56.25 26.34 10.32 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.658 0.266 . . . . 0.0 111.417 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 1.2 m -119.6 -62.76 1.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.386 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.899 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -49.63 139.04 13.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.404 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -126.11 143.08 51.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . 0.43 ' CE1' ' HB2' ' A' ' 691' ' ' ASP . 92.8 m-85 -149.47 169.83 19.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.964 0.411 . . . . 0.0 110.715 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 17.1 p -96.98 -16.26 20.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.339 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -164.26 -179.56 38.52 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.846 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 26.4 m -68.23 -40.34 82.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.643 0.259 . . . . 0.0 111.474 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -60.93 -46.68 89.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.881 0.372 . . . . 0.0 110.835 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.97 -39.18 88.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -69.82 -34.34 73.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.41 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.72 -40.2 69.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.873 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -64.37 -42.25 96.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.563 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . 0.43 ' HB2' ' CE1' ' A' ' 682' ' ' TYR . 0.7 OUTLIER -86.81 -17.66 32.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.932 179.771 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.408 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.89 -45.0 67.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.606 -179.355 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.427 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 1.5 mt-10 -57.45 -47.76 80.95 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.839 -179.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.36 -35.9 71.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.201 0.524 . . . . 0.0 110.495 178.331 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.622 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 15.1 t60 -59.06 -31.13 68.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.24 -178.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.427 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -62.62 -10.49 12.46 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -179.652 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 -74.12 -30.63 62.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.771 0.32 . . . . 0.0 110.98 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.2 pp -118.86 -0.13 8.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.896 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.3 t -102.23 163.41 12.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.875 0.369 . . . . 0.0 111.038 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . -119.96 39.56 2.44 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.84 96.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 110.844 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 63.0 p -136.69 161.17 36.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . 0.508 HD23 ' N ' ' A' ' 704' ' ' GLN . 4.8 tt -68.37 157.85 34.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.94 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . 0.508 ' N ' HD23 ' A' ' 703' ' ' LEU . 8.4 pt20 -136.79 163.18 31.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -150.61 97.8 2.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -133.4 105.07 6.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.819 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.824 0.345 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.18 -48.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 34.4 m -145.7 108.2 4.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -96.14 46.98 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 57.8 m -127.55 158.11 38.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.771 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.65 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 28.9 t -69.18 129.28 39.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.841 0.353 . . . . 0.0 110.877 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.464 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.7 m0 -54.98 -18.87 5.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.865 -179.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -112.46 -62.06 1.63 Allowed 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 120.871 0.367 . . . . 0.0 110.986 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.65 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 66.5 m -52.01 -43.11 63.51 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -178.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 83.21 -1.44 88.69 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.247 -0.977 . . . . 0.0 112.57 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.31 -72.07 0.69 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.861 0.362 . . . . 0.0 111.143 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -149.35 143.98 26.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.186 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -101.99 -151.86 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.92 -57.47 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.882 0.373 . . . . 0.0 110.842 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -86.96 155.31 20.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.99 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 17.7 m -131.89 140.29 49.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.869 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.865 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 49.2 t -49.06 120.76 4.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.125 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.23 -15.26 58.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.069 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.24 -31.79 21.74 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.717 -0.754 . . . . 0.0 113.172 -179.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 26.8 p -126.38 -7.41 6.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 117.298 0.549 . . . . 0.0 112.01 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 56.06 26.18 9.77 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.778 0.323 . . . . 0.0 111.462 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 31.4 m -119.11 -63.37 1.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.369 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.865 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -49.07 140.78 8.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.462 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -128.14 142.53 51.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.001 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -148.98 169.64 20.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.96 0.41 . . . . 0.0 110.728 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 17.5 p -96.54 -15.59 21.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.397 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -164.5 -179.43 38.61 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.896 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.33 -40.47 81.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.569 0.223 . . . . 0.0 111.299 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -60.86 -46.77 89.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.768 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.98 -38.94 87.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -68.46 -35.23 77.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.417 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -71.88 -39.57 69.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.837 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -64.82 -42.2 95.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.643 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.88 -18.0 31.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.977 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.41 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.73 -45.44 66.98 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.654 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.476 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 0.6 OUTLIER -56.17 -47.35 78.43 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.553 -179.882 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -70.87 -35.81 72.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.129 0.49 . . . . 0.0 110.165 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.676 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 8.1 t60 -59.12 -31.3 68.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.538 -0.756 . . . . 0.0 112.572 -178.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.476 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 0.7 OUTLIER -65.05 -10.2 28.23 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -179.352 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -74.37 -29.05 61.39 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.783 0.325 . . . . 0.0 110.816 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.3 pt -121.48 0.06 7.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.973 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.8 t -104.74 161.98 13.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.828 0.347 . . . . 0.0 111.106 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 113.11 -51.95 0.67 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.553 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.39 99.04 10.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.774 0.321 . . . . 0.0 110.958 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -145.08 -68.97 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 2.7 mp -147.15 75.21 1.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -170.45 34.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -163.59 141.17 7.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.017 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -164.85 153.09 12.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 179.89 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.837 0.351 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 98.5 p -134.07 176.11 8.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.71 -44.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.96 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -138.88 63.31 1.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.06 146.82 46.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.632 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 20.4 t -68.97 129.24 39.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.929 0.395 . . . . 0.0 110.823 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.457 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.2 m0 -55.66 -19.11 9.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.793 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -111.3 -62.25 1.57 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 120.818 0.342 . . . . 0.0 110.841 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.632 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 68.9 m -53.14 -42.67 66.31 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -177.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.75 -0.49 88.18 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.268 -0.967 . . . . 0.0 112.589 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.14 -71.19 0.69 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.877 0.37 . . . . 0.0 111.122 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -156.43 147.56 22.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.254 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . 0.623 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -133.24 149.03 52.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.93 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.5 m -126.48 -30.62 2.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.643 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -86.84 150.48 24.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.009 0.433 . . . . 0.0 111.258 -179.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 4.1 m -131.92 140.25 48.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.001 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.869 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 41.4 t -48.85 121.54 4.78 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.154 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 6.1 p -78.21 -15.48 58.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.013 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.62 -31.78 20.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.732 . . . . 0.0 113.286 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.4 p -126.7 -7.6 6.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 117.3 0.55 . . . . 0.0 112.03 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 5.2 m120 56.43 25.95 10.21 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.656 0.265 . . . . 0.0 111.359 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 59.3 m -118.73 -62.91 1.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.841 0.353 . . . . 0.0 111.234 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.869 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -50.93 147.73 4.79 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.203 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.57 142.75 47.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -149.46 166.67 28.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.65 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 27.2 p -96.19 -15.57 21.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.414 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.56 177.83 36.82 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.45 -0.881 . . . . 0.0 112.918 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 2.5 m -68.11 -40.47 82.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.68 0.276 . . . . 0.0 111.202 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -60.94 -46.41 90.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.816 0.341 . . . . 0.0 110.73 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.29 -39.32 82.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.812 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -70.36 -33.54 71.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.449 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -39.32 69.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -66.24 -39.71 89.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.691 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -88.61 -18.8 27.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.974 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.405 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.69 -45.41 66.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.704 -179.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.48 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 31.4 mt-10 -56.42 -47.49 78.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.966 0.412 . . . . 0.0 110.58 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.93 -36.01 72.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.241 0.544 . . . . 0.0 110.301 178.121 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.561 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 6.4 t60 -59.28 -31.41 69.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.399 -0.819 . . . . 0.0 112.532 -178.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.48 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 0.7 OUTLIER -65.16 -9.93 27.09 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.239 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -74.54 -29.76 61.5 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.763 0.316 . . . . 0.0 110.803 179.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.3 pp -121.62 -0.45 7.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.6 t -103.06 155.41 18.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.82 0.343 . . . . 0.0 111.054 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . -71.34 -26.93 72.48 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.571 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -59.54 136.67 58.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . 0.487 HG22 ' H ' ' A' ' 703' ' ' LEU . 0.2 OUTLIER -153.04 179.82 8.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . 0.487 ' H ' HG22 ' A' ' 702' ' ' THR . 0.2 OUTLIER -62.36 -55.97 22.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -143.69 -47.39 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -68.66 -177.81 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.991 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -153.72 146.09 23.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.829 -179.929 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 3.4 t0 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.784 0.326 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 2.3 p -134.77 116.24 14.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.43 88.86 1.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.973 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -130.99 61.33 1.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 22.1 t -122.81 154.77 37.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.779 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.623 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 19.7 t -72.82 129.05 37.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.45 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.4 m0 -55.45 -19.18 8.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.683 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -111.77 -62.15 1.6 Allowed 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 120.85 0.357 . . . . 0.0 110.984 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.623 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 68.1 m -52.69 -42.59 64.93 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -177.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.63 -1.51 87.78 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.205 -0.998 . . . . 0.0 112.526 -179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.06 -69.43 0.77 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.836 0.351 . . . . 0.0 111.046 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.32 144.42 22.97 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.194 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . 0.424 ' O ' ' HB3' ' A' ' 671' ' ' SER . . . -99.58 -154.77 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.941 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . 0.424 ' HB3' ' O ' ' A' ' 670' ' ' ALA . 5.1 p 176.84 -58.95 0.01 OUTLIER 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.845 0.355 . . . . 0.0 110.648 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . 0.405 ' N ' ' OG ' ' A' ' 671' ' ' SER . 6.8 mm-40 -87.19 157.8 19.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.972 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 13.0 m -131.86 140.15 49.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.931 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.87 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 44.1 t -49.41 121.08 4.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.112 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 1.7 t -78.3 -15.35 58.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.052 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.38 -31.87 21.08 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 113.211 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 26.9 p -126.6 -7.57 6.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 117.365 0.583 . . . . 0.0 112.054 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 53.9 m-20 56.06 26.24 9.85 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.724 0.297 . . . . 0.0 111.499 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 57.4 m -119.64 -62.31 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.852 0.358 . . . . 0.0 111.439 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.87 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -49.48 139.32 12.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.409 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -125.53 143.45 51.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . 0.426 ' CE1' ' HB2' ' A' ' 691' ' ' ASP . 79.1 m-85 -149.33 168.74 22.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.66 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 17.3 p -96.84 -15.71 21.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.307 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -162.24 179.11 37.77 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.81 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.22 -41.11 81.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.68 0.276 . . . . 0.0 111.385 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -60.95 -46.5 90.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.815 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -58.55 -37.18 75.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -68.87 -35.07 76.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.367 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -71.8 -39.78 69.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -65.25 -41.81 93.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.598 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . 0.426 ' HB2' ' CE1' ' A' ' 682' ' ' TYR . 1.3 m-20 -86.73 -17.96 32.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.996 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.405 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.81 -45.45 67.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.542 -179.364 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.473 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 1.7 mt-10 -56.13 -47.38 78.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.948 0.404 . . . . 0.0 110.527 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.82 -35.77 72.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.138 0.494 . . . . 0.0 110.162 178.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.625 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 4.8 t60 -59.23 -31.28 68.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.563 -178.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.473 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 0.7 OUTLIER -65.27 -10.35 31.49 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.322 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 -74.55 -27.94 60.73 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.764 0.316 . . . . 0.0 110.731 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . 0.538 HD11 ' CE1' ' A' ' 695' ' ' HIS . 2.8 pp -124.46 0.01 5.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.996 -179.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 9.1 t -107.57 160.13 15.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.814 0.34 . . . . 0.0 111.063 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . -109.01 28.27 11.44 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.495 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -69.89 137.35 51.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 1.5 m -162.68 -43.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 1.4 mp 63.5 140.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -152.23 -174.08 4.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -68.15 -31.45 71.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.066 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 11.4 mp0 -95.63 167.52 11.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.946 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.969 -179.949 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.779 0.323 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -111.02 136.71 49.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 1.1 m -87.0 120.6 28.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 60.47 59.94 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 2.3 t -94.44 146.55 24.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.724 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.612 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 17.1 t -70.75 129.25 38.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.919 0.39 . . . . 0.0 110.97 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.449 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 13.6 m0 -56.2 -18.97 11.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.742 -179.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -111.49 -62.42 1.55 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.79 0.329 . . . . 0.0 110.919 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.612 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 71.1 m -52.85 -42.45 65.21 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -178.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.69 -1.23 88.5 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.272 -0.966 . . . . 0.0 112.696 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.37 -69.15 0.78 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.844 0.355 . . . . 0.0 111.19 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -153.3 144.34 22.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.196 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -101.25 -151.86 0.42 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.994 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.2 m 172.48 -56.82 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 120.884 0.373 . . . . 0.0 110.709 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -86.96 155.93 19.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.928 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 27.1 m -129.69 140.26 51.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.015 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.889 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 32.9 t -49.75 121.72 5.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.037 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.91 -15.75 58.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.062 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.4 -31.76 21.33 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 113.204 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 31.7 p -126.34 -7.82 6.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 117.3 0.55 . . . . 0.0 111.986 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 5.4 m120 55.95 25.98 9.33 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.629 0.252 . . . . 0.0 111.392 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 57.7 m -119.75 -62.18 1.52 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.789 0.328 . . . . 0.0 111.404 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.889 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -49.05 138.35 11.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.515 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.79 143.45 49.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . 0.456 ' CD2' ' CG ' ' A' ' 688' ' ' GLN . 84.3 m-85 -149.49 168.8 22.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.371 . . . . 0.0 110.727 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 17.6 p -97.34 -15.69 20.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.536 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -163.03 179.1 38.47 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.373 -0.917 . . . . 0.0 113.024 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 30.8 p -68.17 -39.94 82.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.636 0.255 . . . . 0.0 111.352 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -60.88 -46.61 89.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.837 0.351 . . . . 0.0 110.659 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.68 -36.69 74.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . 0.456 ' CG ' ' CD2' ' A' ' 682' ' ' TYR . 22.0 mt-30 -65.72 -38.18 88.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.472 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -71.78 -39.63 69.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.13 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -61.99 -47.14 86.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.617 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -84.71 -16.3 42.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.184 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.408 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 3.0 t-105 -52.89 -45.37 67.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.781 -179.368 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.417 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 0.5 OUTLIER -57.23 -47.83 80.35 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.914 -179.431 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.4 -35.97 71.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.136 0.493 . . . . 0.0 110.598 178.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.534 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 7.5 t60 -59.08 -31.08 68.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.597 -0.729 . . . . 0.0 112.323 -178.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.417 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.0 OUTLIER -63.02 -11.25 17.9 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -179.569 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -74.23 -28.44 61.25 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.657 0.265 . . . . 0.0 110.958 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.2 pp -123.04 0.34 6.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.0 t -103.28 162.97 12.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.756 0.313 . . . . 0.0 111.022 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . -121.67 50.99 0.81 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.473 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -65.31 115.56 5.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.832 0.349 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 6.8 p -136.23 173.82 11.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.31 106.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -91.34 89.6 7.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.963 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -161.81 132.03 4.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.048 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -73.67 164.49 26.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.842 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.819 0.342 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 43.2 p -175.8 -62.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 10.7 t -96.75 155.41 16.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -143.8 46.97 1.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 7.3 m -129.15 157.98 40.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.766 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.643 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 26.6 t -69.56 129.42 39.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.911 0.386 . . . . 0.0 110.827 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.473 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.7 m0 -55.24 -19.28 7.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.817 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -111.93 -61.92 1.64 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.813 0.339 . . . . 0.0 111.035 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.643 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 66.9 m -52.41 -42.8 64.37 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -178.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.58 -1.31 88.12 Favored Glycine 0 CA--C 1.519 0.344 0 C-N-CA 120.224 -0.988 . . . . 0.0 112.529 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.93 -68.0 0.83 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.839 0.352 . . . . 0.0 111.039 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.08 144.01 21.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.202 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . 0.403 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -101.56 -151.69 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.86 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 172.76 -56.99 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.871 0.367 . . . . 0.0 110.831 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -86.89 155.84 20.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.003 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 82.2 m -131.79 140.19 49.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.904 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.897 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 27.7 t -49.6 120.67 4.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.061 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 14.9 m -77.93 -15.41 59.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.067 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -86.11 -30.72 22.06 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.736 -0.745 . . . . 0.0 113.206 -179.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.0 p -127.27 -8.29 5.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 117.32 0.56 . . . . 0.0 112.076 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 56.48 26.33 10.76 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.63 0.252 . . . . 0.0 111.427 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 57.0 m -119.45 -62.61 1.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.402 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.897 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -49.76 138.55 14.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.467 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 4.1 ttt-85 -126.13 142.88 51.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.943 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . 0.425 ' CE1' ' HB2' ' A' ' 691' ' ' ASP . 77.1 m-85 -149.44 169.68 20.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.933 0.396 . . . . 0.0 110.719 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 16.9 p -97.09 -15.59 20.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.409 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -163.44 179.9 38.26 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.397 -0.906 . . . . 0.0 112.842 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 93.9 p -68.19 -41.32 81.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.717 0.294 . . . . 0.0 111.352 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -60.86 -46.58 90.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.749 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.93 -38.67 83.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . 0.404 ' HG3' ' CE2' ' A' ' 682' ' ' TYR . 12.1 tt0 -69.17 -34.66 75.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.305 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -71.88 -39.92 69.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -65.06 -41.06 95.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.544 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . 0.425 ' HB2' ' CE1' ' A' ' 682' ' ' TYR . 1.9 m-20 -87.24 -18.46 30.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.925 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.406 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 3.0 t-105 -52.97 -45.45 67.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.677 -179.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.423 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 1.3 mt-10 -56.73 -47.89 79.0 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.77 -179.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 695' ' ' HIS . 11.1 pttp -71.36 -35.84 71.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.093 0.473 . . . . 0.0 110.493 178.296 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.66 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 10.4 t60 -59.01 -31.15 68.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.366 -178.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.423 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -62.72 -10.69 13.59 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -179.546 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -74.22 -31.64 62.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.671 0.272 . . . . 0.0 110.909 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.5 pp -118.55 0.25 8.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.911 -179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 6.3 t -104.89 161.74 13.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.805 0.336 . . . . 0.0 111.056 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . -111.43 29.61 8.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -69.32 138.73 54.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.838 0.352 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 3.2 m -143.75 104.59 4.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 1.6 pp -129.74 176.73 7.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -69.05 169.85 11.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.811 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . 0.589 ' HB1' HE21 ' A' ' 707' ' ' GLN . . . -170.7 130.65 0.84 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.067 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -42.58 95.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . 0.589 HE21 ' HB1' ' A' ' 705' ' ' ALA . 2.3 pt20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.863 0.363 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 13.8 p -164.76 -57.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.971 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.26 167.46 10.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -149.88 49.35 0.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 45.9 m -108.6 150.75 27.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.758 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.698 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 19.7 t -66.38 129.48 39.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.837 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.45 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 12.7 m0 -55.92 -18.67 9.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.686 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -111.89 -62.47 1.56 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.866 0.365 . . . . 0.0 110.84 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.624 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 71.4 m -53.05 -42.32 65.67 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.053 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.7 -0.6 87.97 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 120.272 -0.966 . . . . 0.0 112.596 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.68 -70.06 0.74 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.876 0.369 . . . . 0.0 111.116 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -156.59 146.55 21.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.12 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . 0.698 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -131.66 147.95 52.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.967 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.43 -31.66 2.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.495 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -86.85 150.59 24.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.092 0.472 . . . . 0.0 111.054 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 28.6 m -131.85 140.32 49.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.045 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.888 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 49.8 t -48.6 121.09 4.2 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.128 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 10.7 t -78.35 -15.37 58.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.109 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.09 -32.21 21.13 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.752 -0.737 . . . . 0.0 113.262 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 26.9 p -126.16 -7.0 6.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 117.315 0.557 . . . . 0.0 112.015 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 6.5 m120 56.09 26.03 9.65 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.717 0.294 . . . . 0.0 111.328 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 3.1 m -118.85 -62.87 1.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.332 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.888 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -50.78 148.9 3.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.33 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.11 142.96 47.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . 0.408 ' CE2' ' HG3' ' A' ' 688' ' ' GLN . 47.2 m-85 -149.52 165.73 31.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.933 0.397 . . . . 0.0 110.631 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 24.9 p -95.66 -15.43 22.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.564 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -161.31 178.14 37.36 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.367 -0.92 . . . . 0.0 112.961 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.13 -39.67 82.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.699 0.285 . . . . 0.0 111.246 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -60.94 -46.54 90.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.593 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.83 -38.28 78.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . 0.408 ' HG3' ' CE2' ' A' ' 682' ' ' TYR . 41.7 tt0 -67.99 -35.81 78.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.311 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -71.89 -39.43 69.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.824 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -40.84 90.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.566 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -86.87 -18.38 31.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.924 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.445 ' CZ3' ' HB3' ' A' ' 696' ' ' HIS . 2.9 t-105 -52.84 -45.12 67.19 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.605 -179.393 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.501 ' O ' ' CD2' ' A' ' 696' ' ' HIS . 0.1 OUTLIER -56.16 -47.37 78.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.046 0.45 . . . . 0.0 110.442 -179.845 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.04 -35.92 72.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.191 0.52 . . . . 0.0 110.343 178.205 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.606 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 3.3 t60 -59.63 -31.65 69.7 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 113.218 0.822 . . . . 0.0 113.218 -178.266 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.501 ' CD2' ' O ' ' A' ' 693' ' ' GLU . 0.5 OUTLIER -67.63 -9.15 40.52 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.814 -179.228 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -74.4 -30.44 61.95 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.816 0.341 . . . . 0.0 110.51 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.2 pt -123.77 -0.26 6.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.935 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 9.6 t -107.69 160.22 15.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.877 0.37 . . . . 0.0 110.964 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 60.95 27.86 67.7 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.612 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -69.03 -44.05 73.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.86 0.362 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 11.1 p -119.08 -41.34 2.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.802 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.9 150.5 26.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -170.03 129.72 0.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -98.38 137.86 36.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -141.56 88.01 2.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.861 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.459 -0.017 0 CA-C-O 120.918 0.39 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 3.6 m -93.71 139.16 31.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.822 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 25.0 p -65.65 177.49 1.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.964 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -170.44 69.73 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.3 m -111.98 136.51 51.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.7 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.652 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 25.6 t -71.19 129.1 38.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.9 0.381 . . . . 0.0 110.932 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.465 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.4 m0 -54.62 -19.34 5.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.847 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -112.24 -61.59 1.7 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.835 0.35 . . . . 0.0 111.061 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.652 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 64.4 m -52.27 -43.18 64.26 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -177.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.67 -1.24 88.43 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.158 -1.02 . . . . 0.0 112.538 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.35 -67.9 0.84 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.889 0.376 . . . . 0.0 111.202 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -154.12 143.78 21.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.252 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -100.34 -152.94 0.43 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.2 m 173.69 -58.59 0.01 OUTLIER 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.842 0.353 . . . . 0.0 110.766 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -86.97 154.79 20.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.028 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 48.8 m -131.75 140.22 49.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.985 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.854 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 33.4 t -49.04 120.6 4.04 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.126 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.96 -15.4 59.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.043 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.53 -30.93 23.12 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.8 -0.714 . . . . 0.0 113.189 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.7 p -126.94 -7.97 6.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 117.199 0.5 . . . . 0.0 112.055 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 16.8 m120 55.87 26.4 9.65 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.68 0.276 . . . . 0.0 111.413 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 2.0 m -119.09 -63.86 1.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.367 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.854 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -48.82 136.51 13.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.557 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -123.68 142.62 50.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . 0.424 ' CE1' ' HB2' ' A' ' 691' ' ' ASP . 98.0 m-85 -149.41 170.66 18.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.94 0.4 . . . . 0.0 110.791 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 16.9 p -97.37 -16.26 20.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.324 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -164.28 -179.39 38.43 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.861 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 12.1 m -68.23 -40.66 81.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.751 0.31 . . . . 0.0 111.474 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . 0.4 ' CE2' ' SG ' ' A' ' 687' ' ' CYS . 45.1 p90 -60.97 -46.68 89.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.868 0.366 . . . . 0.0 110.838 -179.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . 0.4 ' SG ' ' CE2' ' A' ' 686' ' ' PHE . 1.7 m -61.31 -39.28 89.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . 0.42 ' HG3' ' CD2' ' A' ' 682' ' ' TYR . 51.3 tt0 -70.43 -34.37 72.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.436 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 52.2 m170 -71.88 -39.58 69.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.014 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.26 -44.39 91.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.621 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . 0.424 ' HB2' ' CE1' ' A' ' 682' ' ' TYR . 8.4 m-20 -85.31 -17.2 37.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.038 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.406 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.78 -45.45 67.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.676 -179.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.477 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 2.0 tt0 -56.27 -47.35 78.76 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.596 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.93 -35.89 72.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.137 0.494 . . . . 0.0 110.154 178.118 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.666 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 19.3 t60 -59.19 -31.23 68.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.484 -0.78 . . . . 0.0 112.6 -178.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.477 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 0.7 OUTLIER -64.28 -9.76 19.56 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -179.343 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -74.36 -28.45 61.13 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.725 0.297 . . . . 0.0 110.887 179.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.1 pt -119.71 -0.45 8.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.989 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 3.8 t -101.42 160.77 14.14 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.931 0.395 . . . . 0.0 111.034 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 106.29 -47.11 1.08 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.5 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -109.9 119.56 39.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.778 0.323 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 2.9 p -69.2 -35.18 75.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.1 -178.83 3.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.811 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -101.58 119.61 39.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -101.2 73.81 1.53 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.064 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.99 -31.56 27.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.817 0.341 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 35.8 t -82.6 -72.56 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.69 -180.0 4.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -128.76 67.52 1.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 3.6 m -94.78 147.86 22.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.743 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.677 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 17.8 t -65.1 129.16 38.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.816 0.341 . . . . 0.0 110.819 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.451 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 12.8 m0 -56.12 -18.76 10.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.703 -179.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -111.44 -62.61 1.53 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.859 0.362 . . . . 0.0 110.776 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.618 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 75.9 m -53.47 -42.07 66.85 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -178.035 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.91 -0.57 88.28 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.165 -1.017 . . . . 0.0 112.563 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.81 -70.42 0.72 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.879 0.371 . . . . 0.0 111.291 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.52 147.33 21.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.156 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . 0.677 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -131.05 147.14 52.59 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.011 179.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.02 -32.16 3.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.409 -179.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -86.77 151.71 23.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.937 0.399 . . . . 0.0 111.143 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 83.4 m -131.87 140.25 49.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.976 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.873 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 44.3 t -49.03 121.76 5.13 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.152 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 78.9 p -78.08 -15.61 58.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.039 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.66 -31.78 20.5 Favored Glycine 0 C--N 1.333 0.365 0 C-N-CA 120.789 -0.72 . . . . 0.0 113.284 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 29.2 p -126.73 -7.51 6.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 117.266 0.533 . . . . 0.0 112.09 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 56.19 26.07 9.89 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.78 0.324 . . . . 0.0 111.426 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 58.7 m -119.08 -62.23 1.54 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.321 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.873 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -51.18 148.23 4.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.294 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 2.6 mmt85 -133.63 143.7 48.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.93 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -149.46 165.42 32.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.927 0.394 . . . . 0.0 110.711 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 25.7 p -95.62 -15.32 22.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.337 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.55 177.47 36.96 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.447 -0.882 . . . . 0.0 112.881 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 30.0 m -68.06 -39.99 82.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.688 0.28 . . . . 0.0 111.215 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -60.97 -46.44 90.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.674 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.01 -37.51 74.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -67.93 -35.77 79.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.43 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -71.83 -39.38 69.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.882 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 28.9 mmtt -64.75 -42.86 94.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.536 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -86.2 -17.79 33.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.965 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.435 ' CZ3' ' HB3' ' A' ' 696' ' ' HIS . 2.9 t-105 -52.72 -45.4 66.92 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.608 -179.324 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.497 ' O ' ' CD2' ' A' ' 696' ' ' HIS . 1.1 tt0 -56.16 -47.46 78.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.037 0.446 . . . . 0.0 110.524 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.98 -36.06 72.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.094 0.473 . . . . 0.0 110.413 178.227 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.588 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 4.1 t60 -59.55 -31.68 69.64 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 -178.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.497 ' CD2' ' O ' ' A' ' 693' ' ' GLU . 0.4 OUTLIER -67.25 -9.2 38.2 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.884 -179.079 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -74.64 -28.62 60.94 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.745 0.307 . . . . 0.0 110.652 178.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.7 pp -124.2 -0.51 5.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.7 t -103.81 157.27 17.19 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.783 0.325 . . . . 0.0 110.943 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . -95.76 28.64 11.75 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.582 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -88.36 81.99 7.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.844 0.354 . . . . 0.0 110.816 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.46 169.47 12.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -92.11 125.94 36.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -87.01 170.94 11.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -138.58 168.02 20.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.078 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -107.29 -34.87 6.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.834 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.862 0.363 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 3.4 m -104.06 172.38 6.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 47.2 t -113.7 166.56 11.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -122.42 49.1 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.807 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 69.7 m -113.48 158.25 20.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.661 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 18.8 t -70.86 129.45 39.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.35 . . . . 0.0 110.822 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.449 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 12.8 m0 -56.3 -18.86 11.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.764 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -111.72 -62.93 1.48 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.868 0.366 . . . . 0.0 110.806 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.603 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 77.4 m -52.86 -42.49 65.27 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -178.048 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.75 -1.2 86.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.219 -0.991 . . . . 0.0 112.666 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -96.69 -68.87 0.78 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.93 0.395 . . . . 0.0 111.162 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.68 147.49 18.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.129 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . 0.661 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -132.48 148.53 52.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.0 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 44.9 p -125.61 -31.43 2.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.528 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -86.75 151.27 23.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.021 0.439 . . . . 0.0 111.095 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 31.9 m -131.91 140.28 49.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.03 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.907 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 46.4 t -48.7 121.44 4.61 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.089 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 11.3 m -78.52 -15.34 58.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.016 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.33 -32.16 20.52 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 120.786 -0.721 . . . . 0.0 113.254 -179.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.7 p -125.85 -6.98 6.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 117.322 0.561 . . . . 0.0 111.926 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 55.87 25.57 8.7 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.746 0.308 . . . . 0.0 111.385 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 59.8 m -118.19 -63.73 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.186 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.907 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -49.28 146.56 3.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.272 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.54 142.11 46.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . 0.461 ' CD1' ' HG2' ' A' ' 688' ' ' GLN . 86.9 m-85 -149.48 174.35 12.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.001 0.429 . . . . 0.0 110.827 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 25.8 p -102.45 -15.37 16.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.843 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -157.97 174.8 35.28 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.227 -0.987 . . . . 0.0 113.149 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 1.1 m -68.19 -39.71 82.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.702 0.287 . . . . 0.0 111.103 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -60.81 -45.47 94.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.469 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 2.3 m -57.74 -36.48 72.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.807 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . 0.461 ' HG2' ' CD1' ' A' ' 682' ' ' TYR . 74.8 mt-30 -66.76 -36.88 83.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.543 179.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -71.77 -39.44 69.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.123 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -63.04 -44.92 94.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.788 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . 0.406 ' HB2' ' CE2' ' A' ' 682' ' ' TYR . 0.9 OUTLIER -86.71 -16.66 35.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.199 179.872 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.404 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.61 -45.37 66.54 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.631 -179.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.483 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 3.1 mt-10 -56.13 -47.4 78.24 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.577 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.93 -36.0 72.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.044 0.449 . . . . 0.0 110.273 178.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.528 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 3.7 t60 -59.3 -31.48 69.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.626 -0.716 . . . . 0.0 112.536 -178.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.483 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 0.7 OUTLIER -65.95 -10.41 38.86 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.634 -179.503 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 42.7 m-70 -74.39 -30.2 61.86 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.837 0.351 . . . . 0.0 110.81 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.5 pp -124.16 0.02 5.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.123 -179.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 7.1 t -106.2 159.36 16.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.881 0.372 . . . . 0.0 111.071 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 91.48 -49.37 2.91 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -93.39 47.81 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 110.857 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 66.1 p -90.63 112.31 23.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . 0.445 HD22 ' HA ' ' A' ' 703' ' ' LEU . 0.2 OUTLIER -111.89 125.93 54.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 -105.76 146.27 30.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -134.72 89.75 2.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -80.91 -36.29 31.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.941 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 11.3 t70 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.87 0.367 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.5 m -144.28 141.26 29.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 1.2 m -109.74 157.03 19.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -136.19 47.99 2.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 6.6 m -107.07 153.13 23.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.673 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 18.5 t -66.57 129.02 38.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.863 0.363 . . . . 0.0 110.764 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.451 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 13.1 m0 -55.65 -18.88 8.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.722 -179.652 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -111.62 -62.32 1.57 Allowed 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.874 0.369 . . . . 0.0 110.83 -179.876 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.633 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 69.3 m -53.13 -42.47 66.09 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -178.036 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.22 -0.82 88.43 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.264 -0.97 . . . . 0.0 112.567 -179.561 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.03 -71.42 0.68 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.864 0.364 . . . . 0.0 111.085 -179.932 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.69 147.75 23.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.221 -179.862 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . 0.673 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -131.14 147.12 52.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.922 179.851 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 43.8 m -124.68 -32.55 3.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.441 -179.759 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -86.86 151.13 23.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.997 0.427 . . . . 0.0 111.158 -179.535 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 26.8 m -131.82 140.22 49.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.976 -179.616 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.894 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 42.3 t -48.96 121.47 4.78 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.243 179.872 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.3 -15.53 58.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.024 179.7 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.43 -31.99 20.64 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.696 -0.764 . . . . 0.0 113.232 -179.424 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 27.3 p -126.38 -7.39 6.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 117.312 0.556 . . . . 0.0 112.013 -179.697 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 56.35 25.9 10.0 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.695 0.284 . . . . 0.0 111.403 179.757 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 2.0 m -118.8 -62.94 1.46 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.338 -179.676 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.894 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -50.22 146.83 4.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.318 -179.83 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 4.6 mmt85 -132.42 142.36 49.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . 0.438 ' CE2' ' HG2' ' A' ' 688' ' ' GLN . 91.0 m-85 -149.61 166.48 29.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.927 0.394 . . . . 0.0 110.742 179.872 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 28.6 p -96.37 -15.76 21.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.439 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.16 177.04 36.78 Favored Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.36 -0.924 . . . . 0.0 112.901 -179.639 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 5.7 p -68.13 -39.92 82.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.664 0.268 . . . . 0.0 111.245 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 38.8 p90 -60.85 -46.51 90.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.596 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.61 -37.94 76.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . 0.438 ' HG2' ' CE2' ' A' ' 682' ' ' TYR . 0.5 OUTLIER -70.33 -34.32 72.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.425 179.482 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -71.76 -39.63 69.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -65.03 -42.05 94.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.604 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.02 -17.86 31.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.994 179.808 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.408 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.76 -45.22 66.99 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.621 -179.433 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.413 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 7.3 tt0 -56.2 -47.34 78.56 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.486 -179.813 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -71.15 -35.95 71.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.499 178.261 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.513 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 3.9 t60 -59.08 -31.14 68.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.367 -178.527 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.413 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.0 OUTLIER -63.28 -10.76 17.39 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -179.617 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -74.32 -36.3 63.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.726 0.298 . . . . 0.0 111.123 179.551 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.6 pp -117.33 0.19 8.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -179.428 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.9 t -105.19 162.17 13.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.799 0.333 . . . . 0.0 111.021 -179.82 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . -124.57 41.4 1.72 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.531 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -60.41 -74.38 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.851 0.358 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.65 117.69 31.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.811 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 1.9 mp -92.44 -62.27 1.43 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.82 -47.91 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -72.68 175.14 6.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -125.68 155.33 41.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.975 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.83 0.347 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 2.9 p -162.14 165.64 26.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 6.7 p -125.81 123.43 38.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.6 47.43 2.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.58 139.9 52.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.844 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.706 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 19.8 t -63.0 129.45 40.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.903 0.383 . . . . 0.0 110.779 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.464 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 13.6 m0 -55.56 -19.33 9.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.766 -179.698 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -111.59 -62.28 1.58 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.886 0.374 . . . . 0.0 110.917 -179.813 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.616 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 72.4 m -53.48 -42.25 67.04 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -178.032 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 83.04 -1.35 88.83 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.227 -0.987 . . . . 0.0 112.477 -179.457 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.56 -73.98 0.57 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.884 0.373 . . . . 0.0 111.081 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -152.98 146.83 25.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.142 -179.669 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . 0.706 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -128.01 144.9 51.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 179.69 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 2.9 m -123.84 -34.2 3.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.347 -179.72 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -86.81 151.04 23.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.979 0.419 . . . . 0.0 111.13 -179.542 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 25.8 m -131.94 140.2 48.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.007 -179.748 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.865 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 40.2 t -48.59 121.71 4.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.241 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 65.1 m -78.39 -15.56 58.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.978 179.701 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.23 -32.68 19.5 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 113.298 -179.41 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 30.4 p -125.68 -7.0 6.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 117.326 0.563 . . . . 0.0 112.036 -179.773 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 11.4 m120 55.91 25.72 8.95 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.751 0.31 . . . . 0.0 111.402 179.775 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 17.2 m -118.5 -63.53 1.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.321 -179.731 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.865 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -50.56 148.03 4.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.255 -179.886 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 -134.62 144.22 47.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -149.48 166.38 29.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.711 179.866 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 24.3 p -94.83 -15.59 23.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.372 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -160.99 178.28 37.02 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.82 -179.711 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.12 -39.93 82.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.728 0.299 . . . . 0.0 111.297 -179.905 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -60.89 -46.45 90.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.842 -179.795 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -58.71 -38.16 77.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.914 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -68.83 -35.33 76.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.399 179.458 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 51.9 m170 -71.95 -39.31 69.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.861 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 3.4 mttm -64.77 -43.75 92.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.573 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -85.85 -17.26 36.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.022 179.756 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.412 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.72 -45.23 66.86 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.642 -179.314 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.487 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 5.4 tp10 -56.24 -47.54 78.29 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.527 -179.767 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -70.89 -36.06 72.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.147 0.498 . . . . 0.0 110.181 178.176 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.589 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 4.9 t60 -59.33 -31.42 69.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.527 -0.76 . . . . 0.0 112.509 -178.636 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.487 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 0.7 OUTLIER -65.72 -10.74 39.48 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.607 -179.442 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -74.59 -29.6 61.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.775 0.322 . . . . 0.0 110.777 179.088 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.1 pt -122.61 -0.67 6.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.98 -179.45 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.4 t -102.76 147.32 26.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.885 0.374 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 91.02 -48.83 3.0 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.413 -179.875 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -125.45 166.35 16.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.352 . . . . 0.0 110.816 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 73.4 p -140.37 -48.54 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . 0.447 ' O ' HD12 ' A' ' 703' ' ' LEU . 2.1 pp -167.59 115.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -90.02 157.17 17.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -155.88 175.7 13.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.066 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -123.03 155.17 37.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.815 -179.918 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.922 179.945 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 8.7 t0 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.797 0.332 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 3.4 p -156.11 -42.26 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 -179.904 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 2.2 p 73.22 161.22 0.24 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 20.7 mp0 -98.54 62.55 1.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.007 -179.851 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 2.7 m -142.04 141.66 32.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.713 179.87 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.651 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 18.6 t -67.52 128.99 38.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.923 0.392 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.457 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.8 m0 -56.03 -18.77 10.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.767 -179.637 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -111.2 -62.35 1.56 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.853 0.359 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.651 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 64.9 m -51.97 -45.84 64.58 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -178.084 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 86.8 -1.27 86.91 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.222 -0.99 . . . . 0.0 112.716 -179.703 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -99.07 -75.46 0.56 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.894 0.378 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -150.11 147.99 28.44 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.557 -179.674 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . 0.621 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -132.83 148.7 52.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.884 179.61 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.09 -31.01 2.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.635 -179.673 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -86.82 150.06 24.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.023 0.439 . . . . 0.0 111.228 -179.432 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 12.8 m -131.86 140.3 49.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.952 -179.821 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.874 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 42.2 t -49.22 121.4 4.86 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.196 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 42.7 t -78.28 -15.52 58.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.026 179.717 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.38 -31.93 20.92 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 113.289 -179.447 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 27.7 p -126.51 -7.54 6.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 117.297 0.548 . . . . 0.0 112.047 -179.746 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 56.52 26.0 10.44 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.724 0.297 . . . . 0.0 111.416 179.772 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.91 -62.81 1.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.284 -179.606 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.874 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -51.16 147.8 5.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.201 -179.912 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -134.6 142.73 47.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.929 -179.867 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -149.55 166.0 30.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.667 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 26.1 p -95.33 -15.69 22.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.477 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -161.54 178.58 37.38 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.992 -179.797 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 52.1 p -68.16 -40.31 82.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.664 0.269 . . . . 0.0 111.224 -179.875 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -60.86 -46.47 90.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.731 -179.844 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.35 -39.84 88.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.844 179.785 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -69.89 -34.13 73.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.43 179.467 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -71.81 -38.98 70.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.888 179.835 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 6.1 mtpp -65.4 -41.49 93.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.652 179.807 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -87.59 -18.37 29.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.092 179.738 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.409 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.79 -45.29 67.11 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.634 -179.374 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.426 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 3.5 tt0 -56.18 -47.38 78.4 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.599 -179.786 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -71.25 -36.0 71.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.485 178.19 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.526 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 5.3 t60 -59.18 -31.21 68.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.336 -178.599 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.426 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -62.43 -10.99 13.25 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -179.459 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -74.11 -40.91 62.37 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.721 0.296 . . . . 0.0 110.973 179.62 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.7 pp -110.51 -0.36 9.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.474 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 9.1 t -108.12 160.35 15.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.812 0.339 . . . . 0.0 111.067 -179.715 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 103.68 -28.87 13.63 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.597 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -81.62 108.19 14.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.79 0.329 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.58 144.79 37.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.22 86.99 3.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.29 -41.67 2.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.852 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -150.75 -56.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -170.01 -42.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.824 0.345 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 5.5 p -81.67 -63.82 1.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 14.7 m -139.55 -171.05 3.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.95 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 61.82 60.87 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.3 m -131.94 135.64 46.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.714 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.695 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 15.7 t -64.65 129.01 38.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.894 0.378 . . . . 0.0 110.863 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.449 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 12.9 m0 -56.07 -18.91 10.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.701 -179.686 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -111.29 -62.58 1.53 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.869 0.366 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.603 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 87.1 m -53.89 -41.77 67.93 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -178.066 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.23 -0.37 87.7 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.195 -1.002 . . . . 0.0 112.612 -179.586 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.81 -67.41 0.85 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.902 0.382 . . . . 0.0 111.195 -179.871 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.54 146.76 16.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.265 -179.734 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . 0.695 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -129.08 145.25 51.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.946 179.78 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.41 -34.19 3.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.321 -179.798 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -86.81 152.12 22.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.942 0.401 . . . . 0.0 111.066 -179.674 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 48.4 m -131.92 140.26 48.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.033 -179.624 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.864 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 39.9 t -48.78 121.99 5.21 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.38 -15.63 58.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.022 179.633 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.2 -32.63 19.7 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.833 -0.699 . . . . 0.0 113.257 -179.394 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 31.0 p -125.65 -7.11 6.82 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 117.277 0.538 . . . . 0.0 111.951 -179.684 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 55.81 25.38 8.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.712 0.291 . . . . 0.0 111.43 179.701 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 7.2 m -118.24 -63.65 1.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.206 -179.661 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.864 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -49.65 146.5 4.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.285 -179.923 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 5.4 mtt85 -133.46 142.8 48.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . 0.478 ' CD2' ' HG2' ' A' ' 688' ' ' GLN . 87.2 m-85 -149.51 170.11 19.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.946 0.403 . . . . 0.0 110.81 179.929 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 28.6 p -98.48 -15.36 19.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.763 -179.665 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -159.63 176.48 36.37 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.288 -0.958 . . . . 0.0 113.159 -179.641 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 65.6 p -68.18 -39.2 82.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.691 0.282 . . . . 0.0 111.294 -179.871 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -60.7 -46.25 91.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.914 0.387 . . . . 0.0 110.559 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . 0.5 ' O ' ' HG2' ' A' ' 690' ' ' LYS . 2.0 m -57.76 -36.28 71.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.737 179.753 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . 0.478 ' HG2' ' CD2' ' A' ' 682' ' ' TYR . 63.8 mt-30 -69.01 -36.51 77.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.408 179.427 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.01 -42.25 66.62 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.385 -179.876 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 687' ' ' CYS . 0.8 OUTLIER -64.91 -38.76 92.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.93 0.395 . . . . 0.0 110.641 -179.864 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -88.8 -18.21 28.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.976 179.654 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.407 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.78 -44.39 66.53 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.594 -179.423 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.475 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 2.2 tt0 -56.86 -47.46 80.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.961 0.41 . . . . 0.0 110.564 -179.922 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -71.05 -36.03 72.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.172 0.511 . . . . 0.0 110.352 178.253 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.534 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 3.6 t60 -59.3 -31.34 69.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.624 -178.666 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.475 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 0.7 OUTLIER -65.55 -9.84 29.96 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.284 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -74.55 -30.32 61.7 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.713 0.292 . . . . 0.0 110.823 179.175 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.6 pp -124.16 0.17 5.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -179.381 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 6.1 t -104.82 159.83 15.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.799 0.333 . . . . 0.0 111.001 -179.856 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 68.78 27.6 73.74 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.45 -179.855 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -100.06 114.74 28.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.323 . . . . 0.0 110.949 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 24.4 p -97.59 39.6 1.2 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.42 118.02 8.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -127.16 35.42 4.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -88.46 135.05 33.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.073 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -125.76 123.67 39.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.974 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.805 0.336 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 15.0 p -105.41 130.88 53.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 30.9 t -65.5 -43.04 91.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -166.13 54.69 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.98 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . 0.401 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER -126.97 141.8 51.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.839 179.935 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.649 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 20.7 t -69.84 129.14 38.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.882 0.372 . . . . 0.0 110.807 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.453 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.7 m0 -55.6 -19.06 9.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.745 -179.656 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -111.34 -62.45 1.55 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.777 0.322 . . . . 0.0 110.887 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.644 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 66.7 m -52.24 -42.64 63.79 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -178.078 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.41 -1.16 88.18 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.227 -0.987 . . . . 0.0 112.537 -179.537 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.03 -72.41 0.65 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.903 0.382 . . . . 0.0 111.164 -179.893 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 2.3 tppt? -154.32 148.08 25.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.278 -179.797 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . 0.649 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -131.97 147.94 52.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.949 179.717 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.09 -33.23 2.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.484 -179.762 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -86.76 149.72 24.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.053 0.454 . . . . 0.0 111.155 -179.503 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 62.8 m -131.84 140.3 49.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.038 -179.651 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.89 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 36.7 t -48.49 121.08 4.14 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.145 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 65.5 m -78.27 -15.24 58.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.112 179.731 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.23 -31.53 22.42 Favored Glycine 0 C--N 1.332 0.361 0 C-N-CA 120.724 -0.751 . . . . 0.0 113.22 -179.478 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 30.7 p -126.32 -7.31 6.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 117.231 0.516 . . . . 0.0 112.013 -179.79 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 24.8 m120 55.84 25.74 8.85 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.712 0.291 . . . . 0.0 111.357 179.721 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 3.0 m -118.77 -62.81 1.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.304 -179.679 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.89 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -49.93 143.96 7.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.293 -179.872 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -129.59 140.96 51.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 -179.927 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -149.45 167.8 25.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.952 0.406 . . . . 0.0 110.774 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 27.0 p -97.46 -16.11 20.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.556 -179.855 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -161.05 177.9 37.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.351 -0.928 . . . . 0.0 113.012 -179.649 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 10.1 m -68.12 -40.03 82.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.727 0.299 . . . . 0.0 111.255 -179.914 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -60.94 -46.43 90.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.835 0.35 . . . . 0.0 110.638 -179.866 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.95 -39.31 85.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.763 179.79 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -69.45 -34.69 74.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.363 179.443 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -71.76 -39.36 70.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.791 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -42.86 96.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.574 179.817 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -87.18 -17.81 31.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.052 179.845 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.413 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.78 -45.48 67.15 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.665 -179.365 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.415 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 2.4 tt0 -56.13 -47.4 78.23 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.533 -179.699 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -71.26 -35.98 71.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.488 178.206 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.498 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 6.1 t60 -59.12 -31.23 68.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.326 -178.55 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.415 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -63.14 -11.59 21.5 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -179.442 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -74.43 -28.71 61.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.661 0.267 . . . . 0.0 111.019 179.567 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.1 pt -122.64 -0.59 6.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.334 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.8 t -103.1 161.89 13.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.847 0.356 . . . . 0.0 110.96 -179.702 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 91.86 -54.4 2.98 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.472 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 58.3 28.5 16.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.779 0.323 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -152.85 178.79 9.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.81 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 1.1 tt -170.8 92.69 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -88.45 137.75 32.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -143.51 132.82 23.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.056 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -116.45 -39.75 3.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.831 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.758 0.313 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 53.6 p -162.52 98.69 1.01 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 1.3 m -134.91 -65.18 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 60.37 47.83 8.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.929 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 19.9 m -111.75 136.47 50.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.817 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.7 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 27.4 t -66.76 129.55 40.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.882 0.372 . . . . 0.0 110.779 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.463 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.5 m0 -55.31 -19.03 7.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.835 -179.6 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -111.88 -62.51 1.55 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.96 0.409 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.637 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 68.8 m -52.54 -43.14 64.98 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -178.096 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.23 -0.83 88.43 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.197 -1.001 . . . . 0.0 112.558 -179.531 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.48 -67.83 0.83 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.867 0.365 . . . . 0.0 111.151 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -159.03 147.5 18.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.297 -179.789 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . 0.7 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -131.3 147.29 52.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.924 179.737 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.27 -32.67 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.468 -179.642 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -86.8 149.85 24.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.034 0.445 . . . . 0.0 111.177 -179.468 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 33.0 m -132.0 140.18 48.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.041 -179.696 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.878 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 41.3 t -48.54 121.31 4.39 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.224 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.56 -15.25 58.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.075 179.69 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.2 -32.19 20.83 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 120.69 -0.767 . . . . 0.0 113.212 -179.392 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 29.4 p -125.87 -7.15 6.69 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 117.272 0.536 . . . . 0.0 112.007 -179.742 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 3.7 m120 56.06 25.87 9.41 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.771 0.32 . . . . 0.0 111.352 179.763 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 5.9 m -118.55 -63.4 1.41 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.27 -179.678 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.878 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -50.02 147.8 3.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.312 -179.864 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -134.52 141.88 46.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.885 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . 0.414 ' CE2' ' HG3' ' A' ' 688' ' ' GLN . 77.8 m-85 -149.5 166.72 28.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.684 179.841 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 27.3 p -95.86 -15.57 22.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.473 -179.877 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -161.09 177.96 37.24 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.386 -0.911 . . . . 0.0 112.935 -179.707 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.16 -40.32 82.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.676 0.274 . . . . 0.0 111.213 -179.887 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -60.93 -46.36 90.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.37 . . . . 0.0 110.675 -179.876 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.0 -39.56 86.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.776 179.855 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . 0.414 ' HG3' ' CE2' ' A' ' 682' ' ' TYR . 42.9 tt0 -68.96 -34.34 75.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.43 179.417 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.75 -39.24 70.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.952 179.781 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -64.99 -41.72 95.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.581 179.869 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.74 -18.4 29.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.982 179.848 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.411 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.77 -45.41 67.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.581 -179.344 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.414 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 2.8 tt0 -56.07 -47.38 78.06 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.599 -179.746 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -71.29 -35.88 71.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.159 0.504 . . . . 0.0 110.54 178.227 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.55 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 6.8 t60 -59.2 -31.11 68.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.387 -178.589 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.414 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -63.29 -11.13 19.48 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -179.643 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -74.37 -28.95 61.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.682 0.277 . . . . 0.0 111.034 179.48 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.5 pt -122.33 -0.32 6.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -179.391 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.5 t -103.34 159.68 15.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.864 0.364 . . . . 0.0 111.02 -179.733 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 95.26 -40.08 2.74 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.508 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -60.02 174.65 0.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 42.8 p -116.68 -44.78 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 86.0 mt -88.93 -178.37 5.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.913 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -90.82 122.94 33.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -120.71 85.93 2.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.086 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -176.09 124.85 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.831 0.348 . . . . 0.0 110.816 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.3 m -160.91 136.01 7.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.921 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 16.4 m -144.45 171.56 14.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.958 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.2 52.25 1.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.788 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 2.9 t -96.06 150.37 20.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.813 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.629 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 21.5 t -70.21 129.09 38.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.913 0.387 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.453 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.4 m0 -55.47 -19.36 9.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.786 -179.579 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -111.52 -61.96 1.62 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.851 0.358 . . . . 0.0 111.062 -179.809 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.629 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 67.9 m -52.82 -42.44 65.12 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -178.024 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.77 -1.45 88.2 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.217 -0.992 . . . . 0.0 112.511 -179.521 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.14 -69.06 0.78 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.945 0.402 . . . . 0.0 111.198 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 11.6 tptt -153.72 144.3 22.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.198 -179.822 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -100.5 -152.59 0.43 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.839 179.821 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 173.42 -57.83 0.01 OUTLIER 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.874 0.368 . . . . 0.0 110.792 179.911 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -86.97 155.46 20.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.978 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 69.3 m -129.75 140.2 51.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.999 -179.616 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.901 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 41.6 t -49.64 121.53 5.28 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.835 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 80.9 p -77.83 -15.71 58.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.096 179.627 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.19 -31.82 21.81 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.728 -0.749 . . . . 0.0 113.192 -179.435 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 29.2 p -126.82 -7.52 6.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 117.35 0.575 . . . . 0.0 112.043 -179.777 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 55.98 26.43 9.9 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.68 0.276 . . . . 0.0 111.48 179.674 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 2.0 m -120.04 -61.72 1.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 0.0 111.387 -179.589 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.901 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -49.07 137.74 12.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.552 -179.68 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 4.9 mmt85 -122.49 143.1 49.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -149.45 167.71 25.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.687 179.837 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 16.9 p -96.83 -15.94 21.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.299 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -162.85 179.54 38.05 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.837 -179.721 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 28.1 p -68.15 -40.79 82.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.708 0.29 . . . . 0.0 111.412 -179.731 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -60.91 -46.52 90.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.805 0.335 . . . . 0.0 110.847 -179.719 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.08 -37.65 77.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.899 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -69.07 -35.33 76.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.503 179.458 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -71.77 -40.08 69.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.729 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 16.5 mmtm -64.55 -43.05 95.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.612 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -85.79 -17.71 35.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.979 179.786 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.407 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.8 t-105 -52.86 -45.74 67.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.671 -179.377 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.423 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 0.1 OUTLIER -56.12 -47.47 78.05 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.583 -179.761 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -71.14 -35.88 71.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.51 178.311 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.582 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 6.5 t60 -58.98 -31.11 68.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.436 -178.519 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.423 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -62.78 -10.53 13.26 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.5 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -74.32 -33.28 63.13 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.648 0.261 . . . . 0.0 111.05 179.599 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.0 pp -118.43 0.37 8.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.521 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.8 t -104.41 160.19 15.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.877 0.37 . . . . 0.0 110.987 -179.821 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 76.31 29.16 58.74 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.514 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -69.29 -31.33 69.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.3 91.17 3.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.76 100.5 3.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.16 87.16 4.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -148.89 146.49 27.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -93.74 86.47 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.986 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.761 0.315 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 2.0 m -86.75 -34.55 19.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.929 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 5.1 t -108.01 131.95 54.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.799 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -119.34 64.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 36.3 m -101.19 145.21 29.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.889 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.649 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 33.7 t -70.59 129.78 40.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.927 0.394 . . . . 0.0 110.882 -179.872 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.465 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.3 m0 -54.73 -19.16 5.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.917 -179.593 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -112.84 -61.53 1.72 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.881 0.372 . . . . 0.0 111.069 -179.727 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.649 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 67.1 m -52.43 -43.02 64.62 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -178.024 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 83.12 -2.03 87.67 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.229 -0.986 . . . . 0.0 112.515 -179.504 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -99.77 -67.88 0.83 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.882 0.373 . . . . 0.0 111.143 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -155.02 145.33 21.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.237 -179.86 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -102.13 -152.15 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 25.0 p 172.91 -57.21 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.888 0.375 . . . . 0.0 110.701 179.702 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -86.96 154.97 20.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.948 -179.808 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 4.8 m -131.88 140.21 49.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.963 -179.695 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.887 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 36.2 t -48.75 120.76 4.02 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.15 179.937 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.06 -15.45 58.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.005 179.751 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.28 -31.47 22.4 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.768 -0.73 . . . . 0.0 113.231 -179.486 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.9 p -126.8 -7.68 6.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 117.301 0.55 . . . . 0.0 111.993 -179.741 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 56.17 26.41 10.25 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.694 0.283 . . . . 0.0 111.351 179.738 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 2.6 m -119.1 -63.35 1.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.839 0.352 . . . . 0.0 111.411 -179.657 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.887 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -49.1 139.88 10.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.401 -179.857 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.95 142.36 51.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.956 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -148.79 170.46 18.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.831 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 17.3 p -96.09 -15.61 22.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.438 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -165.57 -179.09 39.07 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.854 -179.8 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 55.0 p -68.23 -39.95 82.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.584 0.23 . . . . 0.0 111.427 -179.755 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -60.99 -46.62 90.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.75 0.31 . . . . 0.0 110.861 -179.686 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.7 m -61.59 -38.87 89.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.963 179.923 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -69.91 -34.23 73.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.424 179.502 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 3.0 m80 -71.79 -39.83 69.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.939 179.845 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -64.46 -42.63 95.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.607 179.878 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -86.57 -17.75 33.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.963 179.808 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.408 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.93 -45.17 67.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.739 -179.41 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.434 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 12.5 tp10 -56.95 -47.78 79.86 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.821 -179.583 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 695' ' ' HIS . 8.9 ptmt -71.3 -35.98 71.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.079 0.466 . . . . 0.0 110.457 178.154 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.665 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 20.9 t60 -59.09 -31.24 68.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.375 -178.631 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.434 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -61.79 -10.8 9.86 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.425 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -74.0 -40.86 62.65 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.709 0.29 . . . . 0.0 110.909 179.629 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.7 pp -106.82 -0.61 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.945 -179.569 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.5 t -101.8 148.71 24.96 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.83 0.348 . . . . 0.0 110.991 -179.825 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 84.45 -55.47 5.0 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.566 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -57.16 -44.83 83.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.804 0.335 . . . . 0.0 111.028 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 5.5 p -60.44 154.18 21.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 179.92 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.03 112.73 10.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.58 90.06 3.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -160.67 170.2 21.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.078 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -141.96 -72.79 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.996 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.804 0.335 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.2 m -98.53 30.62 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.006 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.17 90.69 3.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 61.72 70.87 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . 0.401 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 2.3 t -124.75 146.14 49.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.711 179.876 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.64 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 19.0 t -68.37 129.19 39.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.942 0.401 . . . . 0.0 110.822 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.459 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.0 m0 -56.04 -18.48 9.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.735 -179.64 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -111.69 -62.26 1.58 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.873 0.368 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.64 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 68.1 m -52.97 -42.85 65.91 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -178.129 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.19 -0.78 88.44 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.227 -0.987 . . . . 0.0 112.534 -179.489 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.93 -71.72 0.67 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.867 0.365 . . . . 0.0 111.102 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -155.81 148.01 23.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.271 -179.816 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . 0.624 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -133.52 148.99 51.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.901 179.739 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.5 m -126.86 -30.46 2.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.594 -179.784 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -86.75 149.82 24.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.007 0.432 . . . . 0.0 111.225 -179.515 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 45.6 m -131.89 140.25 49.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.991 -179.8 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.882 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 37.9 t -48.68 121.6 4.75 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.176 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.22 -15.32 58.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.018 179.778 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.99 -31.39 20.58 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.727 -0.749 . . . . 0.0 113.25 -179.429 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 30.0 p -127.08 -7.71 5.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 117.335 0.567 . . . . 0.0 112.053 -179.689 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 56.48 26.04 10.42 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.698 0.285 . . . . 0.0 111.279 179.737 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 19.2 m -118.74 -62.78 1.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.278 -179.658 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.882 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -51.58 147.38 6.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.188 -179.9 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -134.67 142.88 46.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.987 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -149.55 166.29 29.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.708 179.908 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 24.9 p -95.62 -15.43 22.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.442 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -161.21 178.38 37.17 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.407 -0.902 . . . . 0.0 112.899 -179.736 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 10.7 m -68.18 -40.48 82.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.664 0.269 . . . . 0.0 111.195 -179.863 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -60.9 -46.43 90.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.696 -179.923 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.99 -39.68 86.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.844 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -69.32 -34.51 74.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.315 179.42 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -71.74 -39.31 70.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.855 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -42.27 95.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.609 179.879 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -87.58 -17.96 30.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.986 179.863 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.411 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.77 -45.29 67.06 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.655 -179.403 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.422 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 0.5 OUTLIER -56.17 -47.32 78.49 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.59 -179.823 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt -71.29 -36.1 71.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.137 0.494 . . . . 0.0 110.536 178.195 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.603 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 7.5 t60 -59.14 -31.19 68.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.481 -178.562 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.422 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -62.69 -10.72 13.55 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -179.625 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 -74.32 -35.76 63.66 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.73 0.3 . . . . 0.0 111.076 179.593 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.1 pp -115.37 -0.46 9.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.336 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.4 t -100.17 150.6 22.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.902 0.382 . . . . 0.0 110.847 -179.948 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 69.08 21.94 75.74 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.842 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -147.3 83.7 1.56 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.821 0.343 . . . . 0.0 110.815 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -91.07 140.65 29.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.99 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 4.5 tp 59.54 89.8 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 179.942 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -83.23 140.77 32.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -126.27 151.3 47.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.122 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -164.62 -66.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.807 0.336 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 88.2 p -98.71 31.28 2.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.47 29.74 7.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -169.96 92.17 0.21 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -144.4 130.63 19.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.772 179.911 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.649 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 22.5 t -70.84 129.45 39.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.832 0.349 . . . . 0.0 110.854 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.46 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.8 m0 -55.99 -18.53 9.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.769 -179.602 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -111.62 -62.62 1.53 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.923 0.392 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.649 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 67.5 m -52.02 -43.12 63.54 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -178.231 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 81.88 -0.64 88.16 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.243 -0.979 . . . . 0.0 112.614 -179.549 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -98.17 -68.8 0.79 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.817 0.342 . . . . 0.0 111.165 -179.862 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.54 148.17 19.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.287 -179.812 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . 0.612 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -134.15 149.83 51.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.937 179.652 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.4 p -126.82 -30.45 2.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.513 -179.7 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -86.79 149.67 24.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.038 0.447 . . . . 0.0 111.291 -179.452 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 53.9 m -131.89 140.21 49.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.973 -179.752 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.872 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 39.6 t -48.61 121.32 4.43 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.154 179.894 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.49 -15.17 58.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.063 179.699 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.48 -31.97 20.52 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.771 -0.728 . . . . 0.0 113.233 -179.511 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.8 p -126.26 -7.44 6.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 117.383 0.591 . . . . 0.0 111.92 -179.66 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 56.4 25.9 10.1 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.785 0.326 . . . . 0.0 111.446 179.818 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 7.5 m -118.85 -63.22 1.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.842 0.353 . . . . 0.0 111.298 -179.631 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.872 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -50.89 148.18 4.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.306 -179.838 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -134.69 142.44 46.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.93 -179.877 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -149.53 165.94 30.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.682 179.877 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 25.7 p -95.42 -16.01 22.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.407 -179.925 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -161.75 178.65 37.54 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.329 -0.938 . . . . 0.0 112.898 -179.721 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 96.5 p -68.14 -40.37 82.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.701 0.286 . . . . 0.0 111.228 -179.806 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -60.86 -46.56 90.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.874 0.369 . . . . 0.0 110.738 -179.84 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.8 -40.7 93.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.767 179.733 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -69.34 -34.53 74.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.375 179.489 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -71.75 -38.56 70.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.909 179.811 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 3.0 mmtm -64.67 -43.39 93.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.641 179.816 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -86.91 -17.68 32.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.065 179.834 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.408 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.7 -45.03 66.7 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.582 -179.408 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.428 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 12.8 tt0 -56.12 -47.42 78.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.874 0.369 . . . . 0.0 110.512 -179.846 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.13 -36.11 71.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.475 178.197 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.541 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 7.4 t60 -59.14 -31.08 68.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.473 -178.59 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.428 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -62.41 -10.77 12.5 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -179.456 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -74.15 -40.8 62.35 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.73 0.3 . . . . 0.0 111.052 179.64 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 1.4 pt -110.29 -0.47 9.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.464 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 14.1 t -110.21 159.34 17.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.888 0.375 . . . . 0.0 111.047 -179.716 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 107.52 -26.81 17.02 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.588 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 61.7 31.24 18.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.799 0.333 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.36 146.43 24.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.06 -49.46 6.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.935 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -94.33 110.54 22.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -114.67 99.42 7.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.082 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -162.68 32.68 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 1.5 t0 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.807 0.337 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 29.5 t -69.42 113.26 6.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.51 155.23 40.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.921 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -105.82 59.84 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 179.915 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 20.4 p -107.01 150.33 26.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.833 179.957 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.651 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 21.5 t -68.2 129.14 39.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.958 0.408 . . . . 0.0 110.757 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.458 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.3 m0 -55.47 -18.27 6.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.787 -179.6 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -112.45 -62.16 1.62 Allowed 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 120.787 0.327 . . . . 0.0 110.811 -179.914 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.651 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 66.3 m -52.66 -43.51 65.57 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -177.98 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 82.7 -0.78 89.16 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.275 -0.964 . . . . 0.0 112.503 -179.579 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.8 -69.04 0.77 Allowed 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.826 0.346 . . . . 0.0 111.185 -179.853 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -157.92 147.68 20.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.267 -179.786 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . 0.65 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -131.81 147.91 52.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.885 179.736 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 67.5 m -125.72 -32.08 2.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.531 -179.801 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.86 149.59 24.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.05 0.453 . . . . 0.0 111.188 -179.469 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . . . . . . . . . 15.2 m -131.93 140.32 48.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.941 -179.763 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.894 ' HB2' ' HB3' ' A' ' 680' ' ' ALA . 32.9 t -48.7 121.32 4.48 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.209 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.22 -15.51 58.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.061 179.673 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -85.7 -31.4 21.38 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.817 -0.706 . . . . 0.0 113.239 -179.423 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 29.4 p -126.62 -7.7 6.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 117.236 0.518 . . . . 0.0 112.053 -179.733 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 56.14 25.94 9.65 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.668 0.27 . . . . 0.0 111.339 179.768 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 43.1 m -118.79 -62.96 1.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.872 0.367 . . . . 0.0 111.391 -179.718 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.894 ' HB3' ' HB2' ' A' ' 674' ' ' CYS . . . -50.32 145.49 6.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.349 -179.868 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 8.8 mmt180 -131.37 141.05 49.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . 0.426 ' CE1' ' HB2' ' A' ' 691' ' ' ASP . 90.7 m-85 -149.46 165.38 32.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.74 179.848 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 25.0 p -94.87 -15.94 23.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.475 -179.893 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -162.74 179.47 37.99 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.384 -0.912 . . . . 0.0 112.915 -179.636 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.22 -39.73 82.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.662 0.268 . . . . 0.0 111.245 -179.865 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . 0.4 ' CE2' ' SG ' ' A' ' 687' ' ' CYS . 44.6 p90 -60.82 -46.63 89.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 110.698 -179.829 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . 0.4 ' SG ' ' CE2' ' A' ' 686' ' ' PHE . 1.8 m -61.45 -41.04 96.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 179.802 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . 0.421 ' HG3' ' CD2' ' A' ' 682' ' ' TYR . 40.1 tt0 -68.56 -35.28 77.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.352 179.486 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -71.74 -39.28 70.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.909 179.851 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -43.14 95.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.0 0.428 . . . . 0.0 110.554 179.846 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . 0.426 ' HB2' ' CE1' ' A' ' 682' ' ' TYR . 4.7 m-20 -86.84 -17.7 32.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.975 179.849 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.41 ' O ' ' CE3' ' A' ' 692' ' ' TRP . 2.9 t-105 -52.69 -45.22 66.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.626 -179.361 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.414 ' O ' ' ND1' ' A' ' 696' ' ' HIS . 22.3 tt0 -56.17 -47.47 78.2 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.548 -179.81 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -71.21 -36.07 71.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.132 0.492 . . . . 0.0 110.55 178.226 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 9.0 t60 -59.34 -31.15 68.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.348 -178.513 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.414 ' ND1' ' O ' ' A' ' 693' ' ' GLU . 0.1 OUTLIER -63.0 -11.55 19.7 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 -179.52 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -74.32 -28.3 61.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.724 0.297 . . . . 0.0 111.172 179.472 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.1 pp -122.06 -0.45 7.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.401 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.1 t -101.76 150.77 22.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.865 0.364 . . . . 0.0 110.969 -179.897 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 95.71 -36.45 3.83 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.448 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -62.26 151.47 36.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.828 0.347 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 71.5 p -104.96 32.38 4.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 10.9 tp -132.63 147.95 52.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 60.46 34.2 20.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.933 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -129.86 -45.8 1.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -60.59 88.42 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.922 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 901' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 902' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_